data_1v81_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 1v81 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.431 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -148.05 -173.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CZ ' ' OE1' ' A' ' 2' ' ' GLN . 40.3 m-85 -141.6 158.36 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.475 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 70.0 t -131.19 151.54 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.502 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -107.15 -164.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 171.26 172.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' N ' ' OG1' ' A' ' 7' ' ' THR . 34.4 mt -59.63 -15.62 20.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.4 p -95.53 -3.96 45.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 76.59 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 -171.88 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.21 137.0 24.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 2.3 pp -125.5 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -84.1 103.5 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 172.0 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.394 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 72.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HG11 ' A' ' 26' ' ' VAL . 23.3 m -103.28 -179.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.67 152.03 52.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.31 16.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -111.41 6.56 20.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 55' ' ' THR . 55.4 m-20 -90.84 148.02 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' ILE . 10.1 t -78.21 145.89 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 59' ' ' TYR . 7.5 mm -38.95 -52.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.83 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -41.21 -59.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' A' ' 17' ' ' VAL . 3.7 t -56.12 -38.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 14.1 ttmt -78.74 -2.22 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -96.16 -44.26 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -52.01 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.442 ' CD1' HD22 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -41.57 -64.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HG3' ' CG ' ' A' ' 38' ' ' PRO . 11.9 mm-40 -42.13 -27.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -90.4 -49.9 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -43.0 -58.71 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.5 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 2.9 pm0 -79.51 -45.41 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.64 49.47 1.03 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -135.67 141.37 36.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.6 Cg_endo -74.93 140.51 25.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -75.01 -6.32 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.75 -3.88 27.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 2.3 mp0 -109.27 -28.82 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -143.02 153.68 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.01 163.24 25.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 30' ' ' ILE . 4.1 mm? -97.21 151.7 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 48' ' ' LYS . 3.3 mm -131.53 154.75 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.631 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 36.1 t80 -162.26 120.72 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 75.95 4.97 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.05 18.21 58.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.579 1.174 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -114.0 161.37 17.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -78.49 117.36 19.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.2 mp -82.35 116.95 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 3.9 tp10 -125.53 166.53 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -67.83 -6.72 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.93 -68.95 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -118.0 -159.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.0 p -112.56 -179.87 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 23' ' ' ILE . 12.3 mt -57.83 -45.52 86.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 p -55.71 -52.45 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 50.7 m-20 -58.93 -26.36 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.3 m-30 -94.76 1.42 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.65 12.46 8.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 58.6 mt -78.57 85.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -170.06 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 166.24 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 43.22 54.91 4.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -92.81 -178.83 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -150.97 108.45 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.597 1.185 . . . . 0.0 110.379 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.538 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm? -94.63 154.91 17.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.89 122.88 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.426 ' CD1' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -118.67 -170.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 50.0 m-85 -137.73 153.77 49.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 13' ' ' ILE . 59.0 t -130.08 144.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.525 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -102.27 -151.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.525 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.91 170.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' N ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -57.7 -18.17 19.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -91.01 -16.21 28.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.27 80.32 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -136.65 -168.79 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -149.22 127.62 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 pp -126.11 126.57 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -79.3 103.37 9.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.38 168.9 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 56' ' ' LEU . 6.7 m -113.97 -177.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -125.43 155.95 71.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 p -112.0 7.94 20.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' THR . 96.6 m-20 -91.11 146.35 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -78.9 140.77 38.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.424 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 59' ' ' TYR . 11.8 mm -39.51 -37.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -55.54 -62.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -48.53 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 56' ' ' LEU . 3.8 t -59.12 -36.69 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 30' ' ' ILE . 8.5 ttmt -82.94 -9.2 59.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -92.0 -49.21 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ASP . 7.2 mttm -39.47 -59.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -46.71 -55.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' A' ' 31' ' ' GLN . 4.6 mm-40 -53.76 -19.36 4.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -88.85 -21.02 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' ILE . 3.4 mmpt? -85.41 -52.35 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 5.6 pm0 -79.31 -35.44 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.01 25.1 32.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -114.21 152.29 45.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.05 139.84 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -17.72 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -101.78 -69.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.491 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 10.2 mm-40 -57.49 -176.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.42 114.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.92 144.35 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 45' ' ' PHE . 2.4 mm -135.86 168.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 38.3 t80 -158.96 126.43 4.91 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 74.69 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.81 64.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -158.61 169.82 23.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -80.3 92.8 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 43' ' ' LEU . 2.0 mt -67.35 109.72 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.8 tp10 -126.32 166.89 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 54' ' ' ARG . 14.0 m-20 -39.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 34.29 -97.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -112.37 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 30.1 p -93.06 -171.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 14.2 mt -69.13 -40.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 p -59.46 -52.07 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.71 -24.03 32.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.4 m-30 -94.89 1.14 55.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.72 21.42 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.521 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 54.7 mt -83.22 92.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.06 -173.5 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 14.0 tttt -72.7 161.56 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' ' 4' ' ' PHE . 19.8 mm-40 56.7 35.17 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' PHE . 1.1 p -80.36 165.8 21.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -131.37 101.09 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.4 mm? -86.09 160.65 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -111.65 123.61 50.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 41' ' ' GLN . 1.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 14' ' ' THR . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 17' ' ' VAL . 23.1 pt -137.16 -173.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 56.4 m-85 -135.47 150.92 49.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 87.5 t -121.21 144.53 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -128.41 157.7 40.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -144.45 -172.5 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.413 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 ' N ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -61.25 -11.34 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.514 ' N ' HD11 ' A' ' 8' ' ' LEU . 14.9 t -91.96 -25.1 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.24 5.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 166.0 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.68 124.98 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.6 pp -120.45 128.82 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.421 HG21 ' NE2' ' A' ' 2' ' ' GLN . 1.2 m -80.26 92.39 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.46 169.73 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.4 125.67 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 3' ' ' ILE . 1.4 m -147.15 153.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.49 150.74 47.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -5.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -108.11 5.9 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 55' ' ' THR . 91.6 m-20 -90.64 153.43 20.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.547 ' CG2' ' ND2' ' A' ' 25' ' ' ASN . 9.3 t -78.06 167.32 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.451 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.625 HG13 ' CE2' ' A' ' 59' ' ' TYR . 2.5 mm -76.74 -4.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -90.59 -21.48 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.7 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.8 OUTLIER -89.6 -35.93 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.52 -42.91 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.19 -6.82 58.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLN . . . -90.6 -45.58 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -45.53 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 8.2 pt -59.34 -41.7 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.66 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.6 mm-40 -57.7 -15.57 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.81 -20.47 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -88.87 -52.47 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' HG21 ' A' ' 36' ' ' ILE . 4.4 pm0 -78.97 -34.51 44.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 27.71 35.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.122 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -117.97 153.76 51.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.13 140.74 25.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.52 -27.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 38' ' ' PRO . 3.6 mp0 -95.4 -68.06 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' CG ' HD13 ' A' ' 36' ' ' ILE . 11.6 mm-40 -52.75 158.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.13 120.66 5.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -85.21 147.96 26.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm -125.51 151.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.616 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 29.2 t80 -149.73 119.43 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.17 21.1 8.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.48 -0.27 81.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 152.79 18.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.91 99.08 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' CB ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -40.12 -89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.42 148.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -69.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.67 -99.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -115.3 -149.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 0.815 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.417 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 20.7 p -106.3 -176.2 3.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.474 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ILE . 13.8 mt -66.74 -42.44 86.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -60.71 -41.27 94.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.97 -30.34 67.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.625 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.4 m-30 -89.94 -4.81 57.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.212 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.63 18.84 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.517 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 21.7 mt -79.98 91.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -167.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.3 mttp -73.98 -177.61 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 37.88 43.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.234 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.67 165.58 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -136.27 109.02 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.616 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.4 mm? -93.37 147.8 22.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -106.87 115.94 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' LYS . 8.6 tp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 8.5 pt20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 28.2 pt -104.67 -171.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -139.19 155.2 47.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.26 141.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.6 OUTLIER -100.4 -157.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.503 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.36 173.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -56.39 -18.18 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.479 ' CG2' HG22 ' A' ' 7' ' ' THR . 9.0 t -95.35 2.8 54.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.91 76.55 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -172.76 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.41 126.6 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.5 125.8 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.26 124.27 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 164.92 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.64 70.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' A' ' 56' ' ' LEU . 35.6 m -88.2 -166.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.24 153.51 73.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.2 Cg_endo -74.98 -16.75 20.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -105.39 9.18 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -91.38 148.64 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -78.78 146.12 33.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.576 1.173 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.483 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 30.9 mm -46.01 -27.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.42 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.406 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -51.22 -35.03 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 56' ' ' LEU . 21.5 t -70.18 -47.74 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' HG13 ' A' ' 30' ' ' ILE . 2.3 ptpt -78.01 -4.67 48.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -94.48 -42.28 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.75 -26.03 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' LYS . 6.3 pt -82.25 -41.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.596 ' N ' HE21 ' A' ' 31' ' ' GLN . 4.0 mm-40 -57.98 -25.6 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -29.14 17.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 7.9 mmtm -61.05 -29.85 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.209 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -119.93 -69.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.9 39.75 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -121.89 142.97 37.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.494 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.93 140.91 26.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.95 -19.9 17.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -26.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.9 mp0 -97.88 -64.62 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' PRO . 12.6 mm100 -65.46 141.14 58.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH2' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -132.98 137.01 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -92.98 149.69 21.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' NH2' ' A' ' 42' ' ' ARG . 3.1 mm -138.61 151.65 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 35.0 t80 -154.39 121.49 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.52 22.2 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -5.09 62.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.69 150.37 29.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -79.28 98.0 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 59' ' ' TYR . 1.4 mt -66.64 111.27 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tp10 -124.98 152.4 44.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 3.6 p30 -58.1 -19.47 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -35.91 -48.81 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -124.0 -173.91 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -103.99 -165.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.506 ' CD1' HG23 ' A' ' 17' ' ' VAL . 8.1 mt -82.88 -39.18 21.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 18.0 p -58.2 -54.62 44.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.94 -24.31 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HD21 ' A' ' 50' ' ' LEU . 9.2 m-30 -98.13 5.06 48.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.62 22.42 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.526 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 32.0 mt -78.99 88.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -79.54 -173.92 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -74.06 161.41 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.95 26.23 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -177.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -151.05 114.18 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.4 mm? -99.43 154.93 17.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -103.18 118.07 35.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 2.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.486 ' CG ' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.9 pt -134.7 -171.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CD1' HG23 ' A' ' 12' ' ' THR . 62.6 m-85 -135.43 160.29 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.486 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 58.4 t -133.85 141.69 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.53 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.3 OUTLIER -105.2 -159.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.53 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.24 174.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 7' ' ' THR . 63.4 mt -52.27 -19.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -84.35 -42.88 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.91 50.77 2.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -109.69 170.12 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.8 m -126.98 103.42 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.486 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 1.1 pt -98.39 126.37 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 2' ' ' GLN . 1.2 m -79.84 117.13 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -123.3 174.83 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -141.04 108.73 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.433 ' CG1' HG11 ' A' ' 26' ' ' VAL . 33.7 m -136.89 166.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.1 mt-10 -95.18 163.39 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.13 10.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 15.57 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -90.94 142.11 28.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -81.15 156.08 25.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 23' ' ' ILE . 4.7 mm -54.04 -43.57 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -54.34 -36.12 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -55.12 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG11 ' CG1' ' A' ' 17' ' ' VAL . 4.2 t -58.04 -40.64 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CD ' ' CB ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.23 -14.84 59.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -84.73 -20.25 31.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.0 -12.75 58.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -107.16 -56.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.557 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 11.7 mm-40 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -90.82 -49.61 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.216 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmtt -38.16 -61.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -78.11 -50.27 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.49 52.38 0.44 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -137.65 140.99 31.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -75.05 -24.35 12.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.72 -24.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 2.4 mp0 -86.15 -65.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.326 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -107.24 146.64 31.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 175.92 6.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.59 147.07 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -126.63 149.56 31.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 61' ' ' ILE . 39.4 t80 -152.34 118.73 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.66 26.03 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.42 38.13 58.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 145.26 50.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.76 91.23 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.629 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -56.17 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.74 134.93 34.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.01 -23.25 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.29 42.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 1.4 mmt85 -128.63 162.15 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -112.03 -165.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 16.9 mt -73.45 -42.06 62.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -66.15 -14.83 62.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.028 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 11.7 m-20 -81.49 -39.8 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 38.9 m-85 -100.07 6.94 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.35 38.29 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 45' ' ' PHE . 18.7 mt -82.91 88.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -79.31 -163.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 4.4 mtmt -70.78 173.69 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mt-10 38.12 48.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 4' ' ' PHE . 38.6 p -91.77 150.88 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -126.95 104.19 7.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.57 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 1.7 mp -86.24 176.15 8.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -129.33 120.25 25.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -137.48 -171.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.224 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 61.4 m-85 -146.49 162.78 37.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.492 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 91.5 t -137.77 141.79 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' C ' ' CG2' ' A' ' 7' ' ' THR . 10.8 mttt -99.28 -165.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.503 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER 173.15 170.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' OG1' ' A' ' 7' ' ' THR . 44.7 mt -54.68 -18.99 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -83.21 -27.97 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.83 61.75 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.94 178.74 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.423 ' CG2' ' CD1' ' A' ' 4' ' ' PHE . 1.4 m -131.98 109.77 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -99.32 121.59 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.21 118.0 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 162.74 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.55 86.66 2.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.0 175.89 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 3.0 mt-10 -101.3 143.42 26.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 57' ' ' SER . 18.4 Cg_endo -74.93 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -115.92 8.91 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 26' ' ' VAL . 3.8 p-10 -90.98 156.47 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' ASN . 9.2 t -80.78 145.35 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' A' ' 56' ' ' LEU . 7.2 mm -43.46 -34.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.43 -42.53 92.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -60.6 -47.29 86.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 21' ' ' ASP . 42.8 t -66.32 -43.97 91.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -78.94 0.15 28.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -95.29 -36.46 11.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 3.6 mttp -64.9 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -45.28 -56.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.523 ' HG3' ' CG ' ' A' ' 38' ' ' PRO . 15.5 mm-40 -52.83 -23.43 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -90.74 -40.83 11.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -60.48 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.54 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -79.61 -53.07 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.06 33.74 1.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -118.09 141.43 29.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.56 28.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.93 -22.01 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.7 mp0 -91.82 -49.04 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.25 -167.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.14 132.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.42 153.22 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mm -141.64 149.14 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 21.7 t80 -166.93 122.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.57 8.19 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.79 22.93 29.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -99.36 160.8 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 4.7 tt0 -79.46 -5.33 54.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.618 1.199 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER 38.51 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -117.8 152.03 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -50.61 -21.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.407 1.067 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.2 -62.52 0.37 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -112.62 -177.46 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.0 p -102.72 -163.52 1.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 110.467 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.06 -43.36 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . 58.5 p -59.79 -26.02 65.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 55.1 m-20 -75.48 -28.66 59.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.657 ' CD2' HD23 ' A' ' 50' ' ' LEU . 16.1 m-30 -104.21 3.49 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.47 14.79 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.7 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 49.8 mt -78.93 95.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.34 144.24 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.636 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 73.25 124.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.636 ' C ' ' O ' ' A' ' 63' ' ' LYS . 2.0 mt-10 14.35 65.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.1 m -86.74 149.49 24.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.5 m -126.61 115.77 20.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.6 mm? -94.08 -177.61 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.233 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -136.84 115.02 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' GLU . 7.9 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 43.9 pt -102.25 -168.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 3' ' ' ILE . 27.7 m-85 -151.13 151.16 31.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.568 ' CG1' ' CG1' ' A' ' 13' ' ' ILE . 13.6 p -116.66 149.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 7' ' ' THR . 4.1 tttt -106.02 -156.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.506 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER 166.58 175.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' OG1' ' A' ' 7' ' ' THR . 72.2 mt -56.21 -16.89 6.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -106.84 4.61 27.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 6' ' ' LYS . . . 49.61 83.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.142 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -168.58 92.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.466 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.568 ' CG1' ' CG1' ' A' ' 5' ' ' VAL . 1.1 pt -98.54 137.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 m -80.87 124.88 29.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.57 171.12 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.83 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -106.78 174.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.23 158.77 37.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.14 20.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.394 1.734 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -101.96 9.26 40.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.909 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -90.41 141.79 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' ILE . 9.7 t -78.53 144.84 35.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.7 mm -39.24 -37.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -57.19 -65.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -46.06 42.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -60.73 -44.78 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -78.21 -6.16 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -93.28 -49.89 5.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ASP . 18.5 mttm -40.29 -54.73 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 5.6 pt -48.99 -43.97 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.759 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.1 mm-40 -56.25 -17.13 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -90.49 -16.46 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -89.18 -53.62 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HG3' HG21 ' A' ' 36' ' ' ILE . 3.0 pm0 -82.65 -44.39 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.97 12.3 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG21 ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.52 153.98 38.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.11 140.23 24.93 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.98 -6.77 18.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.02 0.65 30.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -101.08 -69.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.417 1.073 . . . . 0.0 110.365 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 160.86 16.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -138.48 149.27 45.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.88 147.74 24.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 49' ' ' GLN . 8.4 mm -125.63 153.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 37.6 t80 -165.86 122.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 85.38 -39.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.94 -13.75 1.93 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.423 1.077 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.7 pttt -78.27 162.81 26.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -81.08 7.14 11.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 54.43 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.47 135.96 41.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -62.41 -14.82 44.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.76 -24.74 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -129.64 -175.6 3.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 110.238 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -120.72 -162.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ASN . 14.7 mt -79.14 -43.31 24.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -62.23 -16.13 51.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.62 -34.94 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CE2' HD11 ' A' ' 50' ' ' LEU . 14.9 m-30 -94.93 -0.47 53.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.9 m-80 70.09 24.98 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.577 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 36.8 mt -79.56 84.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -78.45 -173.71 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -73.63 153.17 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.7 OUTLIER 72.98 35.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.0 m -94.68 159.88 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.3 m -127.56 107.44 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.5 mm? -90.77 147.49 23.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -97.07 121.39 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -131.14 -169.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.521 ' CZ ' ' OE1' ' A' ' 64' ' ' GLU . 42.6 m-85 -137.76 150.77 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.536 ' CG1' HD12 ' A' ' 13' ' ' ILE . 10.6 p -126.64 148.71 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.501 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.9 OUTLIER -106.27 -159.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 170.4 172.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.41 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.92 -17.58 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -80.77 -52.11 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.81 65.95 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.1 ttmt -140.99 160.46 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -125.86 117.79 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.536 HD12 ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -112.8 141.52 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.452 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -79.04 105.73 10.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.53 167.07 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.45 90.23 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 7.5 m -132.0 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 161.54 33.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.68 17.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -101.64 13.71 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 55' ' ' THR . 76.5 m-20 -90.92 144.77 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 10.1 t -79.26 153.88 29.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 59' ' ' TYR . 12.8 mm -53.47 -56.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -42.75 -34.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -78.18 -58.88 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 56' ' ' LEU . 4.5 t -55.61 -36.86 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 4.1 ttpp -78.22 -8.04 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.93 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 29.4 mmmt -39.69 -63.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -45.27 -54.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 7.1 mm-40 -48.12 -26.79 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.46 -30.1 16.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -60.15 -34.57 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -109.59 -69.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.05 39.21 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -124.63 142.72 41.39 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.0 140.35 25.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.98 -22.46 14.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -40.72 -30.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 4.0 mp0 -93.31 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.25 176.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CD ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -158.02 149.05 21.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.3 mm? -94.17 145.27 24.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD11 ' CD ' ' A' ' 42' ' ' ARG . 3.4 mm -139.2 133.43 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.636 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 44.8 t80 -145.88 117.16 7.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 111.067 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 85.3 -47.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.185 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.48 47.12 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 163.55 34.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -79.44 90.51 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -57.97 103.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' GLY . 15.8 tp10 -122.36 167.66 13.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.6 p30 -39.63 -31.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 2.15 -82.35 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASP . 15.0 mmm180 -134.6 -150.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 18.4 p -99.02 -171.22 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 26' ' ' VAL . 11.9 mt -72.28 -44.04 63.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 p -62.1 -46.13 90.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.05 -23.53 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.7 m-30 -96.35 -2.58 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.6 t-20 76.16 19.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 44.3 mt -79.07 89.09 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -79.37 170.49 16.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -54.71 164.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.521 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 9.2 mm-40 49.65 42.95 24.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.8 164.39 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -132.72 110.0 10.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm? -96.22 147.18 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -101.36 121.32 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -133.51 -177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -134.33 163.54 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 59.0 t -133.42 137.88 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.543 ' C ' ' CG2' ' A' ' 7' ' ' THR . 11.2 tttt -99.17 -160.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.543 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.55 174.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.9 mt -56.41 -17.35 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.1 p -93.99 1.27 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.45 66.14 1.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -169.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -150.52 120.99 7.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.49 127.37 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.71 139.63 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -150.64 169.86 20.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -128.72 128.44 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.75 169.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.87 157.37 34.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.41 21.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.25 9.11 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' A' ' 55' ' ' THR . 90.6 m-20 -90.54 143.54 26.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 6.1 t -77.67 165.74 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 24' ' ' GLU . 41.1 mm -61.23 -67.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 18.9 tt0 -33.46 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -72.49 -58.32 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.9 t -60.77 -36.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -80.58 -6.72 58.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -91.43 -46.83 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.0 mttm -39.99 -58.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -48.32 -52.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' OE1' ' C ' ' A' ' 37' ' ' PRO . 5.7 mm-40 -53.0 -24.37 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -28.73 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.2 -51.43 61.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 1.6 pm0 -88.44 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 42.0 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -128.8 144.11 51.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.02 140.37 25.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.07 -33.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.91 -28.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 38' ' ' PRO . 2.0 mp0 -80.28 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' PRO . 8.4 pt20 -111.38 141.72 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -113.91 163.91 14.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -93.41 155.5 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.44 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.621 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 30.0 t80 -165.95 123.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.09 11.88 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.52 33.27 39.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 159.29 31.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.47 103.8 8.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.1 mp -70.91 110.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 6.6 tt0 -120.89 155.91 33.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -64.57 -23.1 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.25 -32.32 1.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -127.81 175.11 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 21.3 p -110.39 -169.41 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 14.9 mt -72.63 -39.06 67.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 p -61.39 -36.64 80.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.413 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -68.83 -31.41 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CD2' HD13 ' A' ' 23' ' ' ILE . 12.5 m-30 -99.57 7.73 45.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 56.17 28.9 13.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.621 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 45.5 mt -79.26 78.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 4.5 pt20 -87.9 -158.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 3.2 mttp -58.43 153.64 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 40.54 69.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -89.74 -66.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' SER . 5.9 m 87.59 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.6 mm? -82.75 165.14 20.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -118.07 118.49 32.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.529 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 ' HB ' ' A' ' 7' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 pt -150.02 -176.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.576 ' CD1' HG23 ' A' ' 12' ' ' THR . 55.5 m-85 -137.09 151.67 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 13' ' ' ILE . 3.5 p -112.55 150.27 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -120.07 -156.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.625 1.203 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.68 172.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.373 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.3 mt -59.73 -15.86 23.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -98.25 -37.03 9.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 105.03 2.93 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.518 1.137 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -137.81 -178.78 5.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.1 m -173.48 84.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.2 pp -92.28 139.13 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 m -84.44 91.28 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.95 170.34 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.62 115.02 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 26' ' ' VAL . 16.2 m -147.2 172.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.6 1.187 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -106.43 159.94 28.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.53 11.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.43 6.83 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -86.69 149.06 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -79.46 163.34 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 HD12 ' CD2' ' A' ' 56' ' ' LEU . 40.0 mm -61.94 -49.77 82.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 1.9 mt-10 -54.08 -36.35 63.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -67.31 -52.6 38.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.483 HG12 ' CG2' ' A' ' 17' ' ' VAL . 21.9 t -62.15 -40.11 86.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' CD ' ' CB ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -75.6 -37.03 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -63.38 -53.39 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -59.8 -64.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 8.0 mm-40 -40.16 -28.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ILE . 4.3 m-20 -90.05 -45.06 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ILE . 27.0 mmtt -42.98 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 3.4 pm0 -81.73 -42.58 19.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.1 55.16 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -141.36 141.75 24.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.0 24.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 18.3 Cg_endo -74.96 -23.44 13.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.48 -28.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -98.1 -36.31 10.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' PRO . 17.2 mm-40 -85.4 -179.54 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.357 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.31 119.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -87.71 161.71 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 45' ' ' PHE . 2.3 mm -134.28 159.54 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.684 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 23.1 t80 -162.1 124.47 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 34.44 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.18 26.89 56.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -115.75 150.74 36.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -77.68 106.85 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.5 mp -68.68 113.03 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -124.33 142.28 51.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -54.21 -24.55 18.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.19 -26.42 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 3.2 mmt85 -133.09 -174.31 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 28.3 p -114.07 -165.18 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 6.7 mt -78.55 -41.84 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -65.17 -29.17 69.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 49.8 m-20 -69.88 -26.73 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -102.28 4.06 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 70.6 25.37 4.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 62.3 mt -79.65 88.18 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -80.05 -169.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 162.31 24.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 60.95 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -106.69 166.4 10.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -133.59 112.83 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.625 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 mm? -93.86 145.74 24.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -99.18 109.24 21.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.647 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 13.0 tp . . . . . 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.538 0.209 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.61 148.23 38.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -148.05 -173.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CZ ' ' OE1' ' A' ' 2' ' ' GLN . 40.3 m-85 -141.6 158.36 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.475 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 70.0 t -131.19 151.54 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.502 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -107.15 -164.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.502 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 171.26 172.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' N ' ' OG1' ' A' ' 7' ' ' THR . 34.4 mt -59.63 -15.62 20.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.4 p -95.53 -3.96 45.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 76.59 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 -171.88 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.21 137.0 24.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 2.3 pp -125.5 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -84.1 103.5 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.99 172.0 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.394 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 72.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' CG1' HG11 ' A' ' 26' ' ' VAL . 23.3 m -103.28 -179.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.67 152.03 52.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -5.31 16.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -111.41 6.56 20.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HB ' ' A' ' 55' ' ' THR . 55.4 m-20 -90.84 148.02 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' ILE . 10.1 t -78.21 145.89 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 59' ' ' TYR . 7.5 mm -38.95 -52.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.83 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -41.21 -59.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' A' ' 17' ' ' VAL . 3.7 t -56.12 -38.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 14.1 ttmt -78.74 -2.22 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -96.16 -44.26 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -52.01 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.442 ' CD1' HD22 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -41.57 -64.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HG3' ' CG ' ' A' ' 38' ' ' PRO . 11.9 mm-40 -42.13 -27.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -90.4 -49.9 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -43.0 -58.71 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.5 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 2.9 pm0 -79.51 -45.41 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.64 49.47 1.03 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -135.67 141.37 36.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.6 Cg_endo -74.93 140.51 25.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -75.01 -6.32 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.75 -3.88 27.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 73' ' ' LEU . 2.3 mp0 -109.27 -28.82 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -143.02 153.68 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.01 163.24 25.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 30' ' ' ILE . 4.1 mm? -97.21 151.7 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 48' ' ' LYS . 3.3 mm -131.53 154.75 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.631 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 36.1 t80 -162.26 120.72 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 75.95 4.97 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.05 18.21 58.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.579 1.174 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' O ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -114.0 161.37 17.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -78.49 117.36 19.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.2 mp -82.35 116.95 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 3.9 tp10 -125.53 166.53 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -67.83 -6.72 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.93 -68.95 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -118.0 -159.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 43.0 p -112.56 -179.87 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD22 ' CD1' ' A' ' 23' ' ' ILE . 12.3 mt -57.83 -45.52 86.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 p -55.71 -52.45 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 50.7 m-20 -58.93 -26.36 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.3 m-30 -94.76 1.42 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.65 12.46 8.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 58.6 mt -78.57 85.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -170.06 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 166.24 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 43.22 54.91 4.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 p -92.81 -178.83 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -150.97 108.45 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.597 1.185 . . . . 0.0 110.379 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.538 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm? -94.63 154.91 17.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.89 122.88 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.426 ' CD1' ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -79.76 143.79 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.23 160.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -77.62 62.05 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 48.19 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -59.61 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.49 158.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.03 93.94 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.471 0.177 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -147.1 106.31 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.0 pt -118.67 -170.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CZ ' ' OE2' ' A' ' 64' ' ' GLU . 50.0 m-85 -137.73 153.77 49.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 13' ' ' ILE . 59.0 t -130.08 144.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -102.27 -151.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.525 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.91 170.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -57.7 -18.17 19.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -91.01 -16.21 28.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.27 80.32 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -136.65 -168.79 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.5 m -149.22 127.62 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 2.8 pp -126.11 126.57 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -79.3 103.37 9.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.38 168.9 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 56' ' ' LEU . 6.7 m -113.97 -177.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -125.43 155.95 71.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 p -112.0 7.94 20.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' THR . 96.6 m-20 -91.11 146.35 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -78.9 140.77 38.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.424 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 59' ' ' TYR . 11.8 mm -39.51 -37.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -55.54 -62.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.96 -48.53 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 56' ' ' LEU . 3.8 t -59.12 -36.69 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 30' ' ' ILE . 8.5 ttmt -82.94 -9.2 59.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -92.0 -49.21 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' ASP . 7.2 mttm -39.47 -59.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -46.71 -55.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' A' ' 31' ' ' GLN . 4.6 mm-40 -53.76 -19.36 4.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -88.85 -21.02 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' ILE . 3.4 mmpt? -85.41 -52.35 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 5.6 pm0 -79.31 -35.44 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.01 25.1 32.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -114.21 152.29 45.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.05 139.84 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -17.72 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -101.78 -69.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.491 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 10.2 mm-40 -57.49 -176.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.42 114.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.92 144.35 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 45' ' ' PHE . 2.4 mm -135.86 168.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 38.3 t80 -158.96 126.43 4.91 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 74.69 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.81 64.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -158.61 169.82 23.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -80.3 92.8 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 43' ' ' LEU . 2.0 mt -67.35 109.72 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.8 tp10 -126.32 166.89 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 54' ' ' ARG . 14.0 m-20 -39.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 34.29 -97.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -112.37 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 30.1 p -93.06 -171.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 14.2 mt -69.13 -40.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 p -59.46 -52.07 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.71 -24.03 32.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.4 m-30 -94.89 1.14 55.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.72 21.42 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.521 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 54.7 mt -83.22 92.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.06 -173.5 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 64' ' ' GLU . 14.0 tttt -72.7 161.56 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' ' 4' ' ' PHE . 19.8 mm-40 56.7 35.17 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' PHE . 1.1 p -80.36 165.8 21.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -131.37 101.09 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.4 mm? -86.09 160.65 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -111.65 123.61 50.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 41' ' ' GLN . 1.5 mt -84.86 -161.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.23 170.24 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -44.07 161.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -105.96 170.54 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.24 -172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.46 111.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.388 1.055 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.08 -149.88 6.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.595 1.184 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.425 0.155 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 14' ' ' THR . 1.4 tt0 -167.28 132.85 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 17' ' ' VAL . 23.1 pt -137.16 -173.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 56.4 m-85 -135.47 150.92 49.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 87.5 t -121.21 144.53 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -128.41 157.7 40.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -144.45 -172.5 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.413 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD11 ' N ' ' A' ' 9' ' ' THR . 0.1 OUTLIER -61.25 -11.34 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.514 ' N ' HD11 ' A' ' 8' ' ' LEU . 14.9 t -91.96 -25.1 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.24 5.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 166.0 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.68 124.98 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.6 pp -120.45 128.82 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.421 HG21 ' NE2' ' A' ' 2' ' ' GLN . 1.2 m -80.26 92.39 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.46 169.73 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.4 125.67 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 3' ' ' ILE . 1.4 m -147.15 153.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.49 150.74 47.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -5.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -108.11 5.9 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 55' ' ' THR . 91.6 m-20 -90.64 153.43 20.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.547 ' CG2' ' ND2' ' A' ' 25' ' ' ASN . 9.3 t -78.06 167.32 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.451 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.625 HG13 ' CE2' ' A' ' 59' ' ' TYR . 2.5 mm -76.74 -4.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -90.59 -21.48 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.7 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.8 OUTLIER -89.6 -35.93 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.52 -42.91 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.19 -6.82 58.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLN . . . -90.6 -45.58 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -45.53 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 8.2 pt -59.34 -41.7 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.66 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.6 mm-40 -57.7 -15.57 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.81 -20.47 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -88.87 -52.47 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HG3' HG21 ' A' ' 36' ' ' ILE . 4.4 pm0 -78.97 -34.51 44.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 27.71 35.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.122 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -117.97 153.76 51.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.13 140.74 25.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.52 -27.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 38' ' ' PRO . 3.6 mp0 -95.4 -68.06 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' CG ' HD13 ' A' ' 36' ' ' ILE . 11.6 mm-40 -52.75 158.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.13 120.66 5.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -85.21 147.96 26.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm -125.51 151.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.616 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 29.2 t80 -149.73 119.43 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.17 21.1 8.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.48 -0.27 81.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.31 152.79 18.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.91 99.08 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' CB ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -40.12 -89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.42 148.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -69.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.67 -99.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -115.3 -149.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 0.815 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.417 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 20.7 p -106.3 -176.2 3.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.474 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' ILE . 13.8 mt -66.74 -42.44 86.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -60.71 -41.27 94.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.97 -30.34 67.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.625 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.4 m-30 -89.94 -4.81 57.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.212 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.63 18.84 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.517 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 21.7 mt -79.98 91.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -167.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.3 mttp -73.98 -177.61 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 37.88 43.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.234 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.67 165.58 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -136.27 109.02 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.616 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.4 mm? -93.37 147.8 22.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -106.87 115.94 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 6' ' ' LYS . 8.6 tp -86.14 149.12 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 m -95.84 -174.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 5.0 mp -48.43 134.9 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -70.83 -175.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mp -150.5 -174.76 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 131.05 34.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.5 134.3 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.519 0.2 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 8.5 pt20 -78.85 101.17 7.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 28.2 pt -104.67 -171.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -139.19 155.2 47.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.26 141.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.6 OUTLIER -100.4 -157.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.503 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.36 173.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -56.39 -18.18 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.479 ' CG2' HG22 ' A' ' 7' ' ' THR . 9.0 t -95.35 2.8 54.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.91 76.55 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.7 -172.76 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.41 126.6 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.5 125.8 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.26 124.27 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.41 164.92 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.64 70.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' A' ' 56' ' ' LEU . 35.6 m -88.2 -166.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.24 153.51 73.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HD3' ' CG ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.98 -16.75 20.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -105.39 9.18 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -91.38 148.64 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -78.78 146.12 33.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.576 1.173 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.483 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 30.9 mm -46.01 -27.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.42 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.406 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -51.22 -35.03 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 56' ' ' LEU . 21.5 t -70.18 -47.74 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' HG13 ' A' ' 30' ' ' ILE . 2.3 ptpt -78.01 -4.67 48.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -94.48 -42.28 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -46.75 -26.03 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' LYS . 6.3 pt -82.25 -41.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.596 ' N ' HE21 ' A' ' 31' ' ' GLN . 4.0 mm-40 -57.98 -25.6 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -29.14 17.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 7.9 mmtm -61.05 -29.85 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.209 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -119.93 -69.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.9 39.75 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -121.89 142.97 37.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.494 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.93 140.91 26.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.95 -19.9 17.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -26.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.9 mp0 -97.88 -64.62 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' PRO . 12.6 mm100 -65.46 141.14 58.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH2' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -132.98 137.01 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -92.98 149.69 21.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' NH2' ' A' ' 42' ' ' ARG . 3.1 mm -138.61 151.65 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 35.0 t80 -154.39 121.49 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.52 22.2 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -5.09 62.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.69 150.37 29.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -79.28 98.0 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 59' ' ' TYR . 1.4 mt -66.64 111.27 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tp10 -124.98 152.4 44.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 3.6 p30 -58.1 -19.47 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -35.91 -48.81 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -124.0 -173.91 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -103.99 -165.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.506 ' CD1' HG23 ' A' ' 17' ' ' VAL . 8.1 mt -82.88 -39.18 21.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 18.0 p -58.2 -54.62 44.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.94 -24.31 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.572 ' CD2' HD21 ' A' ' 50' ' ' LEU . 9.2 m-30 -98.13 5.06 48.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.62 22.42 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.526 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 32.0 mt -78.99 88.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -79.54 -173.92 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -74.06 161.41 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.95 26.23 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -177.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -151.05 114.18 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.4 mm? -99.43 154.93 17.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -103.18 118.07 35.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 2.2 mt -85.94 -162.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG11 ' NE ' ' A' ' 42' ' ' ARG . 14.6 m -145.9 167.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.51 118.49 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -59.53 167.32 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.8 tp -74.77 -151.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 135.47 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.03 -125.76 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.514 0.197 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.486 ' CG ' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER -145.02 138.39 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.9 pt -134.7 -171.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' CD1' HG23 ' A' ' 12' ' ' THR . 62.6 m-85 -135.43 160.29 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.486 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 58.4 t -133.85 141.69 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.3 OUTLIER -105.2 -159.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.53 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.24 174.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 7' ' ' THR . 63.4 mt -52.27 -19.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.2 p -84.35 -42.88 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.91 50.77 2.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -109.69 170.12 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.8 m -126.98 103.42 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.486 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 1.1 pt -98.39 126.37 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.486 HG23 ' CG ' ' A' ' 2' ' ' GLN . 1.2 m -79.84 117.13 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -123.3 174.83 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -141.04 108.73 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.433 ' CG1' HG11 ' A' ' 26' ' ' VAL . 33.7 m -136.89 166.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.1 mt-10 -95.18 163.39 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.13 10.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 15.57 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -90.94 142.11 28.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -81.15 156.08 25.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 23' ' ' ILE . 4.7 mm -54.04 -43.57 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -54.34 -36.12 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.72 -55.12 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG11 ' CG1' ' A' ' 17' ' ' VAL . 4.2 t -58.04 -40.64 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CD ' ' CB ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -77.23 -14.84 59.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -84.73 -20.25 31.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.0 -12.75 58.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -107.16 -56.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.557 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 11.7 mm-40 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -90.82 -49.61 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.216 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmtt -38.16 -61.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -78.11 -50.27 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.49 52.38 0.44 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -137.65 140.99 31.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -75.05 -24.35 12.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.72 -24.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.479 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 2.4 mp0 -86.15 -65.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.326 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -107.24 146.64 31.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 175.92 6.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -100.59 147.07 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -126.63 149.56 31.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 61' ' ' ILE . 39.4 t80 -152.34 118.73 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.66 26.03 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.42 38.13 58.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.54 145.26 50.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.76 91.23 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.629 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -56.17 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.74 134.93 34.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.01 -23.25 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.29 42.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 1.4 mmt85 -128.63 162.15 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -112.03 -165.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 16.9 mt -73.45 -42.06 62.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -66.15 -14.83 62.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.028 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 11.7 m-20 -81.49 -39.8 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 38.9 m-85 -100.07 6.94 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 63.35 38.29 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 45' ' ' PHE . 18.7 mt -82.91 88.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -79.31 -163.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 4.4 mtmt -70.78 173.69 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mt-10 38.12 48.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 4' ' ' PHE . 38.6 p -91.77 150.88 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -126.95 104.19 7.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.57 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 1.7 mp -86.24 176.15 8.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -129.33 120.25 25.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.25 137.73 33.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 m -87.87 -172.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 4.0 mm? -40.13 153.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -112.58 92.13 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mt -53.97 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -146.32 170.66 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.1 -57.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.472 0.177 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.17 46.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.3 pt -137.48 -171.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.224 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 61.4 m-85 -146.49 162.78 37.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.492 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 91.5 t -137.77 141.79 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' C ' ' CG2' ' A' ' 7' ' ' THR . 10.8 mttt -99.28 -165.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.503 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER 173.15 170.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 71' ' ' LEU . 44.7 mt -54.68 -18.99 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -83.21 -27.97 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.83 61.75 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.94 178.74 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.423 ' CG2' ' CD1' ' A' ' 4' ' ' PHE . 1.4 m -131.98 109.77 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -99.32 121.59 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.21 118.0 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 162.74 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.55 86.66 2.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.0 175.89 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 3.0 mt-10 -101.3 143.42 26.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 57' ' ' SER . 18.4 Cg_endo -74.93 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -115.92 8.91 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 26' ' ' VAL . 3.8 p-10 -90.98 156.47 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' ASN . 9.2 t -80.78 145.35 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' A' ' 56' ' ' LEU . 7.2 mm -43.46 -34.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.43 -42.53 92.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -60.6 -47.29 86.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 21' ' ' ASP . 42.8 t -66.32 -43.97 91.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -78.94 0.15 28.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -95.29 -36.46 11.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 3.6 mttp -64.9 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -45.28 -56.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.523 ' HG3' ' CG ' ' A' ' 38' ' ' PRO . 15.5 mm-40 -52.83 -23.43 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -90.74 -40.83 11.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -60.48 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.54 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -79.61 -53.07 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.06 33.74 1.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -118.09 141.43 29.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 142.56 28.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.93 -22.01 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.7 mp0 -91.82 -49.04 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.25 -167.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.14 132.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -81.42 153.22 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.2 mm -141.64 149.14 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 21.7 t80 -166.93 122.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 68.57 8.19 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.79 22.93 29.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -99.36 160.8 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 4.7 tt0 -79.46 -5.33 54.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.618 1.199 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' A' ' 59' ' ' TYR . 0.1 OUTLIER 38.51 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -117.8 152.03 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -50.61 -21.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.407 1.067 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.2 -62.52 0.37 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -112.62 -177.46 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.0 p -102.72 -163.52 1.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 110.467 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.06 -43.36 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . 58.5 p -59.79 -26.02 65.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 55.1 m-20 -75.48 -28.66 59.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.657 ' CD2' HD23 ' A' ' 50' ' ' LEU . 16.1 m-30 -104.21 3.49 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.47 14.79 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.7 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 49.8 mt -78.93 95.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.34 144.24 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.636 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 73.25 124.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.636 ' C ' ' O ' ' A' ' 63' ' ' LYS . 2.0 mt-10 14.35 65.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 63' ' ' LYS . 1.1 m -86.74 149.49 24.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.5 m -126.61 115.77 20.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.613 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.6 mm? -94.08 -177.61 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.233 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -136.84 115.02 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.41 142.6 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 71' ' ' LEU . 4.9 m -92.95 -174.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -40.85 160.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 -162.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.473 HD22 ' CG ' ' A' ' 40' ' ' GLN . 22.9 mt -102.23 177.73 4.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.52 154.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.53 -117.82 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 64' ' ' GLU . 7.9 mt-30 -130.87 99.56 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 43.9 pt -102.25 -168.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 3' ' ' ILE . 27.7 m-85 -151.13 151.16 31.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.568 ' CG1' ' CG1' ' A' ' 13' ' ' ILE . 13.6 p -116.66 149.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 7' ' ' THR . 4.1 tttt -106.02 -156.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.506 ' OG1' ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER 166.58 175.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' OG1' ' A' ' 7' ' ' THR . 72.2 mt -56.21 -16.89 6.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 28.3 p -106.84 4.61 27.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 6' ' ' LYS . . . 49.61 83.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.142 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -168.58 92.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.466 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.568 ' CG1' ' CG1' ' A' ' 5' ' ' VAL . 1.1 pt -98.54 137.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 m -80.87 124.88 29.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.57 171.12 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.83 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 m -106.78 174.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.23 158.77 37.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.14 20.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.394 1.734 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -101.96 9.26 40.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.909 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -90.41 141.79 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' ILE . 9.7 t -78.53 144.84 35.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' THR . 6.7 mm -39.24 -37.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -57.19 -65.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -46.06 42.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.1 t -60.73 -44.78 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -78.21 -6.16 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -93.28 -49.89 5.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ASP . 18.5 mttm -40.29 -54.73 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 5.6 pt -48.99 -43.97 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.759 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.1 mm-40 -56.25 -17.13 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -90.49 -16.46 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -89.18 -53.62 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HG3' HG21 ' A' ' 36' ' ' ILE . 3.0 pm0 -82.65 -44.39 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.97 12.3 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG21 ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.52 153.98 38.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.11 140.23 24.93 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.98 -6.77 18.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.02 0.65 30.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -101.08 -69.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.417 1.073 . . . . 0.0 110.365 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 160.86 16.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -138.48 149.27 45.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.88 147.74 24.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 49' ' ' GLN . 8.4 mm -125.63 153.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.577 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 37.6 t80 -165.86 122.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 85.38 -39.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.94 -13.75 1.93 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.423 1.077 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.7 pttt -78.27 162.81 26.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -81.08 7.14 11.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.611 HD11 ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 54.43 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.47 135.96 41.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 0.2 OUTLIER -62.41 -14.82 44.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.76 -24.74 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -129.64 -175.6 3.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 110.238 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.3 p -120.72 -162.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' ASN . 14.7 mt -79.14 -43.31 24.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -62.23 -16.13 51.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.62 -34.94 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CE2' HD11 ' A' ' 50' ' ' LEU . 14.9 m-30 -94.93 -0.47 53.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.9 m-80 70.09 24.98 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.577 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 36.8 mt -79.56 84.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -78.45 -173.71 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -73.63 153.17 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.473 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.7 OUTLIER 72.98 35.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.0 m -94.68 159.88 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 11.3 m -127.56 107.44 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.5 mm? -90.77 147.49 23.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -97.07 121.39 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mt -79.21 -176.42 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.53 -172.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -89.46 -167.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 87.54 29.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.232 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 178.86 -168.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -162.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 9' ' ' THR . . . -133.42 53.87 0.78 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.417 ' CB ' ' HD3' ' A' ' 63' ' ' LYS . 1.6 mtt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.47 0.176 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -145.0 133.35 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.5 pt -131.14 -169.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.521 ' CZ ' ' OE1' ' A' ' 64' ' ' GLU . 42.6 m-85 -137.76 150.77 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.536 ' CG1' HD12 ' A' ' 13' ' ' ILE . 10.6 p -126.64 148.71 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.501 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.9 OUTLIER -106.27 -159.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 170.4 172.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.41 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.92 -17.58 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -80.77 -52.11 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.81 65.95 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.1 ttmt -140.99 160.46 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.486 ' CG2' ' HB3' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -125.86 117.79 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.536 HD12 ' CG1' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -112.8 141.52 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.452 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -79.04 105.73 10.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' CG2' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.53 167.07 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.45 90.23 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 7.5 m -132.0 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 161.54 33.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.68 17.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -101.64 13.71 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 55' ' ' THR . 76.5 m-20 -90.92 144.77 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' ASN . 10.1 t -79.26 153.88 29.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.552 HG13 ' CE2' ' A' ' 59' ' ' TYR . 12.8 mm -53.47 -56.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -42.75 -34.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -78.18 -58.88 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 56' ' ' LEU . 4.5 t -55.61 -36.86 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 4.1 ttpp -78.22 -8.04 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.22 -44.93 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HG3' ' CG1' ' A' ' 17' ' ' VAL . 29.4 mmmt -39.69 -63.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -45.27 -54.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 7.1 mm-40 -48.12 -26.79 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.46 -30.1 16.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -60.15 -34.57 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -109.59 -69.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.05 39.21 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -124.63 142.72 41.39 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.0 140.35 25.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.98 -22.46 14.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -40.72 -30.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 4.0 mp0 -93.31 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.25 176.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CD ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -158.02 149.05 21.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.3 mm? -94.17 145.27 24.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD11 ' CD ' ' A' ' 42' ' ' ARG . 3.4 mm -139.2 133.43 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.636 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 44.8 t80 -145.88 117.16 7.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 111.067 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' PHE . . . 85.3 -47.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.185 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.48 47.12 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 163.55 34.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -79.44 90.51 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -57.97 103.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' GLY . 15.8 tp10 -122.36 167.66 13.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.6 p30 -39.63 -31.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 2.15 -82.35 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASP . 15.0 mmm180 -134.6 -150.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 18.4 p -99.02 -171.22 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 26' ' ' VAL . 11.9 mt -72.28 -44.04 63.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 p -62.1 -46.13 90.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.05 -23.53 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.7 m-30 -96.35 -2.58 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.6 t-20 76.16 19.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 44.3 mt -79.07 89.09 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -79.37 170.49 16.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 11.0 mtmm -54.71 164.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.521 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 9.2 mm-40 49.65 42.95 24.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.8 164.39 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -132.72 110.0 10.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.3 mm? -96.22 147.18 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -101.36 121.32 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -85.9 -158.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG13 ' CD ' ' A' ' 42' ' ' ARG . 28.2 m -147.12 169.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.95 119.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -60.5 138.18 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -65.47 -170.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.74 114.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.32 -102.76 2.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.476 0.179 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.72 135.72 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.9 pt -133.51 -177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 40.9 m-85 -134.33 163.54 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 59.0 t -133.42 137.88 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' C ' ' CG2' ' A' ' 7' ' ' THR . 11.2 tttt -99.17 -160.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.543 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.55 174.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.9 mt -56.41 -17.35 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.1 p -93.99 1.27 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.45 66.14 1.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -169.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -150.52 120.99 7.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.49 127.37 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.71 139.63 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -150.64 169.86 20.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -128.72 128.44 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.75 169.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.87 157.37 34.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.41 21.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.25 9.11 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' A' ' 55' ' ' THR . 90.6 m-20 -90.54 143.54 26.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 6.1 t -77.67 165.74 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 24' ' ' GLU . 41.1 mm -61.23 -67.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 18.9 tt0 -33.46 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -72.49 -58.32 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.9 t -60.77 -36.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -80.58 -6.72 58.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -91.43 -46.83 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.0 mttm -39.99 -58.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG21 ' CD1' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -48.32 -52.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' OE1' ' C ' ' A' ' 37' ' ' PRO . 5.7 mm-40 -53.0 -24.37 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -28.73 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.2 -51.43 61.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 1.6 pm0 -88.44 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 42.0 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -128.8 144.11 51.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.02 140.37 25.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.07 -33.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.91 -28.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 38' ' ' PRO . 2.0 mp0 -80.28 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.413 ' O ' ' O ' ' A' ' 38' ' ' PRO . 8.4 pt20 -111.38 141.72 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -113.91 163.91 14.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -93.41 155.5 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -132.44 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.621 ' CE2' ' CG1' ' A' ' 61' ' ' ILE . 30.0 t80 -165.95 123.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.09 11.88 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.52 33.27 39.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 159.29 31.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.47 103.8 8.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.1 mp -70.91 110.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 6.6 tt0 -120.89 155.91 33.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -64.57 -23.1 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.25 -32.32 1.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -127.81 175.11 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 21.3 p -110.39 -169.41 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 14.9 mt -72.63 -39.06 67.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 p -61.39 -36.64 80.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -68.83 -31.41 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CD2' HD13 ' A' ' 23' ' ' ILE . 12.5 m-30 -99.57 7.73 45.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 56.17 28.9 13.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.621 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 45.5 mt -79.26 78.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 4.5 pt20 -87.9 -158.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 3.2 mttp -58.43 153.64 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 40.54 69.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -89.74 -66.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' SER . 5.9 m 87.59 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.6 mm? -82.75 165.14 20.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -118.07 118.49 32.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.529 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 ' HB ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -82.11 146.55 29.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 m -99.46 -166.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.46 -164.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 73.52 131.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.73 -156.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.05 134.41 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.54 105.1 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 4.9 mmt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.563 0.22 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -175.44 151.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.397 1.061 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 pt -150.02 -176.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.576 ' CD1' HG23 ' A' ' 12' ' ' THR . 55.5 m-85 -137.09 151.67 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG11 ' CG1' ' A' ' 13' ' ' ILE . 3.5 p -112.55 150.27 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' C ' ' CG2' ' A' ' 7' ' ' THR . 0.1 OUTLIER -120.07 -156.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.625 1.203 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.68 172.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.373 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.3 mt -59.73 -15.86 23.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -98.25 -37.03 9.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.16 105.03 2.93 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.518 1.137 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -137.81 -178.78 5.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.576 HG23 ' CD1' ' A' ' 4' ' ' PHE . 1.1 m -173.48 84.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 1.2 pp -92.28 139.13 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 m -84.44 91.28 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.95 170.34 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.62 115.02 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.483 ' CG2' HG12 ' A' ' 26' ' ' VAL . 16.2 m -147.2 172.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.6 1.187 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -106.43 159.94 28.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.53 11.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.43 6.83 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -86.69 149.06 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -79.46 163.34 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 HD12 ' CD2' ' A' ' 56' ' ' LEU . 40.0 mm -61.94 -49.77 82.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 1.9 mt-10 -54.08 -36.35 63.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -67.31 -52.6 38.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.483 HG12 ' CG2' ' A' ' 17' ' ' VAL . 21.9 t -62.15 -40.11 86.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' CD ' ' CB ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -75.6 -37.03 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -63.38 -53.39 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -59.8 -64.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 8.0 mm-40 -40.16 -28.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ILE . 4.3 m-20 -90.05 -45.06 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ILE . 27.0 mmtt -42.98 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 3.4 pm0 -81.73 -42.58 19.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.1 55.16 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -141.36 141.75 24.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.0 24.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 18.3 Cg_endo -74.96 -23.44 13.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.48 -28.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -98.1 -36.31 10.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' PRO . 17.2 mm-40 -85.4 -179.54 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.357 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.31 119.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -87.71 161.71 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 45' ' ' PHE . 2.3 mm -134.28 159.54 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.684 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 23.1 t80 -162.1 124.47 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 34.44 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.18 26.89 56.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -115.75 150.74 36.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -77.68 106.85 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.5 mp -68.68 113.03 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -124.33 142.28 51.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -54.21 -24.55 18.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.19 -26.42 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 58' ' ' ASP . 3.2 mmt85 -133.09 -174.31 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 28.3 p -114.07 -165.18 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 6.7 mt -78.55 -41.84 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -65.17 -29.17 69.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 49.8 m-20 -69.88 -26.73 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -102.28 4.06 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 70.6 25.37 4.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 62.3 mt -79.65 88.18 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -80.05 -169.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -68.07 162.31 24.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 60.95 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -106.69 166.4 10.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -133.59 112.83 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.625 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 mm? -93.86 145.74 24.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -99.18 109.24 21.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.647 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 13.0 tp -80.07 150.33 30.35 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 71' ' ' LEU . 1.9 m -89.65 -158.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 2.9 mm? -38.5 126.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -79.8 163.29 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -135.14 -174.43 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.19 138.24 20.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.03 97.63 0.11 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.431 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.545 HG22 ' H ' ' A' ' 65' ' ' SER . 3.9 pt -148.05 -173.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CZ ' ' OE1' ' A' ' 2' ' ' GLN . 40.3 m-85 -141.6 158.36 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.856 ' CG2' HD11 ' A' ' 13' ' ' ILE . 70.0 t -131.19 151.54 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -107.15 -164.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 171.26 172.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' N ' ' OG1' ' A' ' 7' ' ' THR . 34.4 mt -59.63 -15.62 20.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.4 p -95.53 -3.96 45.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 76.59 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 -171.88 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.21 137.0 24.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.3 pp -125.5 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -84.1 103.5 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -102.99 172.0 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.394 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 72.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.062 HG11 HG13 ' A' ' 26' ' ' VAL . 23.3 m -103.28 -179.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.67 152.03 52.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.01 -5.31 16.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -111.41 6.56 20.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 55.4 m-20 -90.84 148.02 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.1 t -78.21 145.89 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 59' ' ' TYR . 7.5 mm -38.95 -52.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.83 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 4.7 t-20 -41.21 -59.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.062 HG13 HG11 ' A' ' 17' ' ' VAL . 3.7 t -56.12 -38.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 14.1 ttmt -78.74 -2.22 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -96.16 -44.26 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.01 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.524 HG23 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -41.57 -64.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 11.9 mm-40 -42.13 -27.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -90.4 -49.9 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -43.0 -58.71 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 2.9 pm0 -79.51 -45.41 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.64 49.47 1.03 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -135.67 141.37 36.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.93 140.51 25.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -75.01 -6.32 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.75 -3.88 27.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -109.27 -28.82 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -143.02 153.68 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.01 163.24 25.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 30' ' ' ILE . 4.1 mm? -97.21 151.7 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 3.3 mm -131.53 154.75 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' HB2' HD12 ' A' ' 67' ' ' LEU . 36.1 t80 -162.26 120.72 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 75.95 4.97 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.05 18.21 58.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.579 1.174 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 161.37 17.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -78.49 117.36 19.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.2 mp -82.35 116.95 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 3.9 tp10 -125.53 166.53 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -67.83 -6.72 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.93 -68.95 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -118.0 -159.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 43.0 p -112.56 -179.87 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 26' ' ' VAL . 12.3 mt -57.83 -45.52 86.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 p -55.71 -52.45 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 50.7 m-20 -58.93 -26.36 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.3 m-30 -94.76 1.42 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.65 12.46 8.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 58.6 mt -78.57 85.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -170.06 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 166.24 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 43.22 54.91 4.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.545 ' H ' HG22 ' A' ' 3' ' ' ILE . 10.3 p -92.81 -178.83 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -150.97 108.45 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.597 1.185 . . . . 0.0 110.379 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -94.63 154.91 17.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.89 122.88 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.714 HG22 ' H ' ' A' ' 65' ' ' SER . 18.0 pt -118.67 -170.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.804 ' HB3' HG23 ' A' ' 12' ' ' THR . 50.0 m-85 -137.73 153.77 49.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 13' ' ' ILE . 59.0 t -130.08 144.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.757 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -102.27 -151.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.757 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.91 170.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.7 -18.17 19.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -91.01 -16.21 28.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.27 80.32 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -136.65 -168.79 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.804 HG23 ' HB3' ' A' ' 4' ' ' PHE . 51.5 m -149.22 127.62 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.876 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.8 pp -126.11 126.57 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.764 HG23 ' HG2' ' A' ' 2' ' ' GLN . 2.6 m -79.3 103.37 9.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.38 168.9 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG11 HG13 ' A' ' 26' ' ' VAL . 6.7 m -113.97 -177.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -125.43 155.95 71.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 p -112.0 7.94 20.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 55' ' ' THR . 96.6 m-20 -91.11 146.35 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' H ' ' A' ' 25' ' ' ASN . 8.8 t -78.9 140.77 38.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.424 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 11.8 mm -39.51 -37.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -55.54 -62.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.544 ' H ' HG23 ' A' ' 22' ' ' THR . 7.5 t-20 -49.96 -48.53 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.115 HG21 HD21 ' A' ' 56' ' ' LEU . 3.8 t -59.12 -36.69 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.755 ' HA ' HD11 ' A' ' 30' ' ' ILE . 8.5 ttmt -82.94 -9.2 59.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -92.0 -49.21 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 17' ' ' VAL . 7.2 mttm -39.47 -59.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -46.71 -55.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.531 ' N ' HE21 ' A' ' 31' ' ' GLN . 4.6 mm-40 -53.76 -19.36 4.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -88.85 -21.02 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' ILE . 3.4 mmpt? -85.41 -52.35 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HG3' HG23 ' A' ' 36' ' ' ILE . 5.6 pm0 -79.31 -35.44 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.01 25.1 32.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -114.21 152.29 45.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.05 139.84 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -17.72 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -101.78 -69.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.503 ' HG3' HD11 ' A' ' 36' ' ' ILE . 10.2 mm-40 -57.49 -176.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.42 114.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.998 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.92 144.35 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.649 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.4 mm -135.86 168.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.865 ' CB ' HD11 ' A' ' 50' ' ' LEU . 38.3 t80 -158.96 126.43 4.91 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 74.69 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.81 64.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -158.61 169.82 23.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -80.3 92.8 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.998 HD12 ' CD2' ' A' ' 43' ' ' LEU . 2.0 mt -67.35 109.72 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.8 tp10 -126.32 166.89 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 54' ' ' ARG . 14.0 m-20 -39.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 34.29 -97.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -112.37 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.1 p -93.06 -171.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.115 HD21 HG21 ' A' ' 26' ' ' VAL . 14.2 mt -69.13 -40.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 p -59.46 -52.07 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.71 -24.03 32.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.4 m-30 -94.89 1.14 55.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.72 21.42 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 54.7 mt -83.22 92.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.06 -173.5 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 64' ' ' GLU . 14.0 tttt -72.7 161.56 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 63' ' ' LYS . 19.8 mm-40 56.7 35.17 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.714 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 p -80.36 165.8 21.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -131.37 101.09 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -86.09 160.65 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 34.0 m-70 -111.65 123.61 50.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 41' ' ' GLN . 1.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.477 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 65' ' ' SER . 23.1 pt -137.16 -173.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 56.4 m-85 -135.47 150.92 49.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.898 ' CG2' HD11 ' A' ' 13' ' ' ILE . 87.5 t -121.21 144.53 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -128.41 157.7 40.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.763 ' HB ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -144.45 -172.5 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.413 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -61.25 -11.34 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OG1' ' A' ' 7' ' ' THR . 14.9 t -91.96 -25.1 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.24 5.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.39 166.0 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.68 124.98 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.6 pp -120.45 128.82 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -80.26 92.39 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.46 169.73 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.4 125.67 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.931 HG11 HG13 ' A' ' 26' ' ' VAL . 1.4 m -147.15 153.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.49 150.74 47.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -5.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -108.11 5.9 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.6 m-20 -90.64 153.43 20.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 26' ' ' VAL . 9.3 t -78.06 167.32 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.451 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.626 HG13 ' CE2' ' A' ' 59' ' ' TYR . 2.5 mm -76.74 -4.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.739 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -90.59 -21.48 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -89.6 -35.93 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -69.52 -42.91 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.19 -6.82 58.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -90.6 -45.58 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -42.71 -45.53 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 8.2 pt -59.34 -41.7 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.6 mm-40 -57.7 -15.57 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.81 -20.47 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -88.87 -52.47 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG3' HG23 ' A' ' 36' ' ' ILE . 4.4 pm0 -78.97 -34.51 44.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 27.71 35.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.122 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' CG ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -117.97 153.76 51.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.13 140.74 25.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.495 ' HB3' HE22 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -45.52 -27.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.495 HE22 ' HB3' ' A' ' 39' ' ' ASP . 18.3 mp0 -95.4 -68.06 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.708 ' CG ' HD11 ' A' ' 36' ' ' ILE . 11.6 mm-40 -52.75 158.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.13 120.66 5.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -85.21 147.96 26.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm -125.51 151.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 67' ' ' LEU . 29.2 t80 -149.73 119.43 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.17 21.1 8.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.48 -0.27 81.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -94.31 152.79 18.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LEU . 7.4 tt0 -78.91 99.08 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -40.12 -89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.42 148.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -69.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.67 -99.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -115.3 -149.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 0.815 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 20.7 p -106.3 -176.2 3.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.474 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 26' ' ' VAL . 13.8 mt -66.74 -42.44 86.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -60.71 -41.27 94.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.97 -30.34 67.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.4 m-30 -89.94 -4.81 57.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.212 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.63 18.84 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.727 HD11 HD11 ' A' ' 50' ' ' LEU . 21.7 mt -79.98 91.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -167.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.3 mttp -73.98 -177.61 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 37.88 43.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.234 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -92.67 165.58 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -136.27 109.02 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -93.37 147.8 22.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -106.87 115.94 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.763 HD23 ' HB ' ' A' ' 7' ' ' THR . 8.6 tp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 8.5 pt20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' A' ' 63' ' ' LYS . 28.2 pt -104.67 -171.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 34.2 m-85 -139.19 155.2 47.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.26 141.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.756 ' C ' HG22 ' A' ' 7' ' ' THR . 0.6 OUTLIER -100.4 -157.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.756 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.36 173.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -56.39 -18.18 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.477 HG22 HG23 ' A' ' 7' ' ' THR . 9.0 t -95.35 2.8 54.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.91 76.55 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -130.7 -172.76 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.41 126.6 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.5 125.8 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.26 124.27 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -122.41 164.92 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.64 70.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.989 HG11 HG13 ' A' ' 26' ' ' VAL . 35.6 m -88.2 -166.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -138.24 153.51 73.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.2 Cg_endo -74.98 -16.75 20.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -105.39 9.18 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -91.38 148.64 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.2 t -78.78 146.12 33.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.576 1.173 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.888 HD13 ' CD2' ' A' ' 56' ' ' LEU . 30.9 mm -46.01 -27.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.42 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.617 ' H ' HG23 ' A' ' 22' ' ' THR . 9.5 t-20 -51.22 -35.03 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG11 ' A' ' 17' ' ' VAL . 21.5 t -70.18 -47.74 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 43' ' ' LEU . 2.3 ptpt -78.01 -4.67 48.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -94.48 -42.28 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 15' ' ' LEU . 1.3 mttm -46.75 -26.03 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' LYS . 6.3 pt -82.25 -41.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.611 ' N ' HE21 ' A' ' 31' ' ' GLN . 4.0 mm-40 -57.98 -25.6 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -29.14 17.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 7.9 mmtm -61.05 -29.85 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.209 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -119.93 -69.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.9 39.75 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -121.89 142.97 37.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.494 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.93 140.91 26.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.95 -19.9 17.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -26.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.9 mp0 -97.88 -64.62 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' PRO . 12.6 mm100 -65.46 141.14 58.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH2' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -132.98 137.01 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -92.98 149.69 21.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.485 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.1 mm -138.61 151.65 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.66 ' HB2' HD12 ' A' ' 67' ' ' LEU . 35.0 t80 -154.39 121.49 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.52 22.2 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -5.09 62.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -80.69 150.37 29.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -79.28 98.0 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD22 ' CD2' ' A' ' 59' ' ' TYR . 1.4 mt -66.64 111.27 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tp10 -124.98 152.4 44.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 3.6 p30 -58.1 -19.47 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -35.91 -48.81 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 14.9 mmt180 -124.0 -173.91 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -103.99 -165.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.888 ' CD2' HD13 ' A' ' 23' ' ' ILE . 8.1 mt -82.88 -39.18 21.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 18.0 p -58.2 -54.62 44.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 4.5 m-20 -53.94 -24.31 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.648 ' CD2' HD22 ' A' ' 50' ' ' LEU . 9.2 m-30 -98.13 5.06 48.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.62 22.42 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.0 mt -78.99 88.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -79.54 -173.92 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -74.06 161.41 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mt-10 64.95 26.23 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -177.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -151.05 114.18 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -99.43 154.93 17.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -103.18 118.07 35.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 2.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.706 ' CD ' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 65' ' ' SER . 21.9 pt -134.7 -171.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 12' ' ' THR . 62.6 m-85 -135.43 160.29 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.485 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 58.4 t -133.85 141.69 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.735 ' C ' HG22 ' A' ' 7' ' ' THR . 0.3 OUTLIER -105.2 -159.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.24 174.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 7' ' ' THR . 63.4 mt -52.27 -19.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.58 ' OG1' HG23 ' A' ' 7' ' ' THR . 71.2 p -84.35 -42.88 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.91 50.77 2.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -109.69 170.12 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.8 m -126.98 103.42 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 HD12 ' A' ' 15' ' ' LEU . 1.1 pt -98.39 126.37 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD ' ' A' ' 2' ' ' GLN . 1.2 m -79.84 117.13 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.959 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -123.3 174.83 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -141.04 108.73 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.918 HG11 HG13 ' A' ' 26' ' ' VAL . 33.7 m -136.89 166.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -95.18 163.39 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.96 -27.13 10.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 15.57 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 77.4 m-20 -90.94 142.11 28.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.0 t -81.15 156.08 25.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.598 HG22 ' NZ ' ' A' ' 27' ' ' LYS . 4.7 mm -54.04 -43.57 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.706 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -54.34 -36.12 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' H ' HG23 ' A' ' 22' ' ' THR . 18.1 t-20 -70.72 -55.12 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.918 HG13 HG11 ' A' ' 17' ' ' VAL . 4.2 t -58.04 -40.64 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.23 -14.84 59.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -84.73 -20.25 31.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.0 -12.75 58.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.959 HG23 HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -107.16 -56.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 11.7 mm-40 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -90.82 -49.61 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.216 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmtt -38.16 -61.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 3.0 pm0 -78.11 -50.27 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.49 52.38 0.44 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -137.65 140.99 31.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -75.05 -24.35 12.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.72 -24.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' PRO . 11.1 mp0 -86.15 -65.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.326 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 3.3 pt20 -107.24 146.64 31.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.87 175.92 6.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mm? -100.59 147.07 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -126.63 149.56 31.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 61' ' ' ILE . 39.4 t80 -152.34 118.73 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . . . 63.66 26.03 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.42 38.13 58.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -127.54 145.26 50.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.76 91.23 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -56.17 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.74 134.93 34.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.01 -23.25 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.29 42.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' CE2' ' A' ' 59' ' ' TYR . 1.4 mmt85 -128.63 162.15 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 70.6 p -112.03 -165.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 26' ' ' VAL . 16.9 mt -73.45 -42.06 62.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -66.15 -14.83 62.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.028 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 11.7 m-20 -81.49 -39.8 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 38.9 m-85 -100.07 6.94 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 8.9 m120 63.35 38.29 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.931 ' CD1' HD21 ' A' ' 50' ' ' LEU . 18.7 mt -82.91 88.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -79.31 -163.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 4.4 mtmt -70.78 173.69 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mt-10 38.12 48.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.676 ' H ' HG22 ' A' ' 3' ' ' ILE . 38.6 p -91.77 150.88 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -126.95 104.19 7.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 50' ' ' LEU . 1.7 mp -86.24 176.15 8.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.33 120.25 25.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 65' ' ' SER . 12.3 pt -137.48 -171.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' THR . 61.4 m-85 -146.49 162.78 37.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 HD23 ' A' ' 67' ' ' LEU . 91.5 t -137.77 141.79 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 10.8 mttt -99.28 -165.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER 173.15 170.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' OG1' ' A' ' 7' ' ' THR . 44.7 mt -54.68 -18.99 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -83.21 -27.97 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.83 61.75 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.94 178.74 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.4 m -131.98 109.77 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -99.32 121.59 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.21 118.0 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 162.74 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.55 86.66 2.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.0 175.89 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.0 mt-10 -101.3 143.42 26.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 57' ' ' SER . 18.4 Cg_endo -74.93 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -115.92 8.91 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 26' ' ' VAL . 3.8 p-10 -90.98 156.47 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' ASN . 9.2 t -80.78 145.35 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 56' ' ' LEU . 7.2 mm -43.46 -34.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.43 -42.53 92.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' THR . 9.2 t-20 -60.6 -47.29 86.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 21' ' ' ASP . 42.8 t -66.32 -43.97 91.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -78.94 0.15 28.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -95.29 -36.46 11.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 3.6 mttp -64.9 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.547 HD12 HE21 ' A' ' 31' ' ' GLN . 0.5 OUTLIER -45.28 -56.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 15.5 mm-40 -52.83 -23.43 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -90.74 -40.83 11.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -60.48 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -79.61 -53.07 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.06 33.74 1.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -118.09 141.43 29.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.95 142.56 28.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.93 -22.01 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.7 mp0 -91.82 -49.04 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.25 -167.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.14 132.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 27' ' ' LYS . 4.3 mm? -81.42 153.22 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 48' ' ' LYS . 5.2 mm -141.64 149.14 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 21.7 t80 -166.93 122.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.57 8.19 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.79 22.93 29.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.9 mptt -99.36 160.8 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 4.7 tt0 -79.46 -5.33 54.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.618 1.199 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 38.51 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -117.8 152.03 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -50.61 -21.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.407 1.067 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.2 -62.52 0.37 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.589 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -112.62 -177.46 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 29.0 p -102.72 -163.52 1.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 110.467 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HB3' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.06 -43.36 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . 58.5 p -59.79 -26.02 65.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 55.1 m-20 -75.48 -28.66 59.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 50' ' ' LEU . 16.1 m-30 -104.21 3.49 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.47 14.79 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.77 ' CD1' HD11 ' A' ' 50' ' ' LEU . 49.8 mt -78.93 95.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.34 144.24 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.636 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 73.25 124.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.636 ' C ' ' O ' ' A' ' 63' ' ' LYS . 2.0 mt-10 14.35 65.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.658 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 m -86.74 149.49 24.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.5 m -126.61 115.77 20.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.6 mm? -94.08 -177.61 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.233 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -136.84 115.02 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 69' ' ' LEU . 1.8 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 7.9 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 43.9 pt -102.25 -168.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.89 ' HB3' HG23 ' A' ' 12' ' ' THR . 27.7 m-85 -151.13 151.16 31.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.878 HG12 HG13 ' A' ' 13' ' ' ILE . 13.6 p -116.66 149.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.693 ' C ' HG22 ' A' ' 7' ' ' THR . 4.1 tttt -106.02 -156.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.693 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 166.58 175.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' OG1' ' A' ' 7' ' ' THR . 72.2 mt -56.21 -16.89 6.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -106.84 4.61 27.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 6' ' ' LYS . . . 49.61 83.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.142 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.89 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -168.58 92.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.466 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.878 HG13 HG12 ' A' ' 5' ' ' VAL . 1.1 pt -98.54 137.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 2' ' ' GLN . 20.0 m -80.87 124.88 29.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -118.57 171.12 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.83 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.786 HG12 ' HD2' ' A' ' 29' ' ' LYS . 17.8 m -106.78 174.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -113.23 158.77 37.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.0 -15.14 20.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.394 1.734 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -101.96 9.26 40.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.909 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 55' ' ' THR . 82.4 m-20 -90.41 141.79 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' ILE . 9.7 t -78.53 144.84 35.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG22 ' CE ' ' A' ' 27' ' ' LYS . 6.7 mm -39.24 -37.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -57.19 -65.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' H ' HG23 ' A' ' 22' ' ' THR . 8.5 t-20 -48.96 -46.06 42.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.694 HG13 HG11 ' A' ' 17' ' ' VAL . 36.1 t -60.73 -44.78 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 23' ' ' ILE . 2.1 ptpt -78.21 -6.16 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -93.28 -49.89 5.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.786 ' HD2' HG12 ' A' ' 17' ' ' VAL . 18.5 mttm -40.29 -54.73 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 5.6 pt -48.99 -43.97 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.774 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.1 mm-40 -56.25 -17.13 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -90.49 -16.46 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -89.18 -53.62 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB2' HG23 ' A' ' 36' ' ' ILE . 3.0 pm0 -82.65 -44.39 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.97 12.3 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -96.52 153.98 38.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.11 140.23 24.93 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.98 -6.77 18.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.02 0.65 30.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -101.08 -69.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.417 1.073 . . . . 0.0 110.365 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -90.13 160.86 16.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -138.48 149.27 45.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -98.88 147.74 24.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 48' ' ' LYS . 8.4 mm -125.63 153.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 67' ' ' LEU . 37.6 t80 -165.86 122.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.38 -39.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.94 -13.75 1.93 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.423 1.077 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.7 pttt -78.27 162.81 26.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -81.08 7.14 11.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 54.43 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.47 135.96 41.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -14.82 44.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.76 -24.74 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 76.9 mmt-85 -129.64 -175.6 3.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.3 p -120.72 -162.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 23' ' ' ILE . 14.7 mt -79.14 -43.31 24.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -62.23 -16.13 51.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.62 -34.94 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 14.9 m-30 -94.93 -0.47 53.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.8 m120 70.09 24.98 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 45' ' ' PHE . 36.8 mt -79.56 84.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -78.45 -173.71 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -73.63 153.17 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.7 OUTLIER 72.98 35.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.0 m -94.68 159.88 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -127.56 107.44 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.5 mm? -90.77 147.49 23.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 18.8 m-70 -97.07 121.39 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 1.9 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.631 ' CG ' HG23 ' A' ' 14' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 65' ' ' SER . 27.5 pt -131.14 -169.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB3' HG23 ' A' ' 12' ' ' THR . 42.6 m-85 -137.76 150.77 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.903 HG12 HG12 ' A' ' 13' ' ' ILE . 10.6 p -126.64 148.71 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.766 ' C ' HG22 ' A' ' 7' ' ' THR . 0.9 OUTLIER -106.27 -159.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.766 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 170.4 172.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.41 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.92 -17.58 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.47 ' OG1' HG23 ' A' ' 7' ' ' THR . 72.7 p -80.77 -52.11 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.81 65.95 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.1 ttmt -140.99 160.46 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.86 HG23 ' HB3' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -125.86 117.79 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.903 HG12 HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -112.8 141.52 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' CG ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -79.04 105.73 10.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.53 167.07 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.45 90.23 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.921 HG11 HG13 ' A' ' 26' ' ' VAL . 7.5 m -132.0 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -117.81 161.54 33.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.68 17.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -101.64 13.71 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 55' ' ' THR . 76.5 m-20 -90.92 144.77 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.1 t -79.26 153.88 29.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 59' ' ' TYR . 12.8 mm -53.47 -56.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tt0 -42.75 -34.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' H ' HG23 ' A' ' 22' ' ' THR . 18.9 t-20 -78.18 -58.88 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 56' ' ' LEU . 4.5 t -55.61 -36.86 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.1 ttpp -78.22 -8.04 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -93.22 -44.93 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HG3' HG12 ' A' ' 17' ' ' VAL . 29.4 mmmt -39.69 -63.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.27 -54.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 7.1 mm-40 -48.12 -26.79 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.46 -30.1 16.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -60.15 -34.57 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -109.59 -69.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.05 39.21 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -124.63 142.72 41.39 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.0 140.35 25.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.98 -22.46 14.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -40.72 -30.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 4.0 mp0 -93.31 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.25 176.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CD ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -158.02 149.05 21.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 30' ' ' ILE . 2.3 mm? -94.17 145.27 24.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.466 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.4 mm -139.2 133.43 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 67' ' ' LEU . 44.8 t80 -145.88 117.16 7.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 111.067 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.3 -47.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.185 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.48 47.12 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 163.55 34.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -79.44 90.51 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -57.97 103.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' GLY . 15.8 tp10 -122.36 167.66 13.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.6 p30 -39.63 -31.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 2.15 -82.35 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASP . 15.0 mmm180 -134.6 -150.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 18.4 p -99.02 -171.22 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 26' ' ' VAL . 11.9 mt -72.28 -44.04 63.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 p -62.1 -46.13 90.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.05 -23.53 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.7 m-30 -96.35 -2.58 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER 76.16 19.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 44.3 mt -79.07 89.09 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -79.37 170.49 16.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -54.71 164.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.521 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 9.2 mm-40 49.65 42.95 24.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.567 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -86.8 164.39 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.092 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -132.72 110.0 10.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -96.22 147.18 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -101.36 121.32 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.462 HD12 HD21 ' A' ' 67' ' ' LEU . 41.9 pt -133.51 -177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB3' HG23 ' A' ' 12' ' ' THR . 40.9 m-85 -134.33 163.54 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 HD23 ' A' ' 67' ' ' LEU . 59.0 t -133.42 137.88 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.752 ' C ' HG22 ' A' ' 7' ' ' THR . 11.2 tttt -99.17 -160.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.55 174.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.9 mt -56.41 -17.35 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.1 p -93.99 1.27 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.45 66.14 1.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -169.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.88 HG23 ' HB3' ' A' ' 4' ' ' PHE . 7.6 m -150.52 120.99 7.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.49 127.37 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 2' ' ' GLN . 0.9 OUTLIER -78.71 139.63 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -150.64 169.86 20.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.3 pm0 -128.72 128.44 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.874 HG11 HG13 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -152.75 169.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -103.87 157.37 34.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.41 21.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.25 9.11 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 55' ' ' THR . 90.6 m-20 -90.54 143.54 26.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.882 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.1 t -77.67 165.74 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 24' ' ' GLU . 41.1 mm -61.23 -67.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.822 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.9 tt0 -33.46 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 18.1 t-20 -72.49 -58.32 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 56' ' ' LEU . 3.9 t -60.77 -36.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.58 -6.72 58.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.822 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -91.43 -46.83 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.0 mttm -39.99 -58.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -48.32 -52.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' OE1' ' C ' ' A' ' 37' ' ' PRO . 5.7 mm-40 -53.0 -24.37 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -28.73 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.2 -51.43 61.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 1.6 pm0 -88.44 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 42.0 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -128.8 144.11 51.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.02 140.37 25.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.07 -33.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.91 -28.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 38' ' ' PRO . 9.7 mp0 -80.28 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 2.9 pt20 -111.38 141.72 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -113.91 163.91 14.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 67' ' ' LEU . 1.3 mm? -93.41 155.5 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 3.3 mm -132.44 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 67' ' ' LEU . 30.0 t80 -165.95 123.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 69.09 11.88 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.52 33.27 39.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -124.94 159.29 31.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.47 103.8 8.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.1 mp -70.91 110.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 6.6 tt0 -120.89 155.91 33.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.57 -23.1 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.25 -32.32 1.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -127.81 175.11 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 21.3 p -110.39 -169.41 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 26' ' ' VAL . 14.9 mt -72.63 -39.06 67.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 p -61.39 -36.64 80.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -68.83 -31.41 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 12.5 m-30 -99.57 7.73 45.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER 56.17 28.9 13.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.653 ' O ' HG22 ' A' ' 61' ' ' ILE . 45.5 mt -79.26 78.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 15.1 pt20 -87.9 -158.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 3.2 mttp -58.43 153.64 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 40.54 69.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -89.74 -66.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' SER . 5.9 m 87.59 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.6 mm? -82.75 165.14 20.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 28.3 m-70 -118.07 118.49 32.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.464 HG22 ' H ' ' A' ' 65' ' ' SER . 9.1 pt -150.02 -176.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.628 ' HB3' HG23 ' A' ' 12' ' ' THR . 55.5 m-85 -137.09 151.67 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' CG1' ' A' ' 13' ' ' ILE . 3.5 p -112.55 150.27 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.772 ' C ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -120.07 -156.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.625 1.203 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.772 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.68 172.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.373 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.3 mt -59.73 -15.86 23.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -98.25 -37.03 9.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.552 ' H ' HG23 ' A' ' 7' ' ' THR . . . 103.16 105.03 2.93 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.518 1.137 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.81 -178.78 5.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -173.48 84.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.653 HD12 HD23 ' A' ' 15' ' ' LEU . 1.2 pp -92.28 139.13 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 m -84.44 91.28 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -97.95 170.34 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.62 115.02 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HG13 ' A' ' 26' ' ' VAL . 16.2 m -147.2 172.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.6 1.187 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.7 mt-10 -106.43 159.94 28.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.53 11.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.43 6.83 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 55' ' ' THR . 97.2 m-20 -86.69 149.06 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.46 163.34 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.584 HD13 HD23 ' A' ' 56' ' ' LEU . 40.0 mm -61.94 -49.77 82.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.758 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.9 mt-10 -54.08 -36.35 63.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -67.31 -52.6 38.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.959 HG13 HG11 ' A' ' 17' ' ' VAL . 21.9 t -62.15 -40.11 86.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HA ' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -75.6 -37.03 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -63.38 -53.39 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -59.8 -64.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.579 HE21 HD12 ' A' ' 30' ' ' ILE . 8.0 mm-40 -40.16 -28.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ILE . 4.3 m-20 -90.05 -45.06 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ILE . 27.0 mmtt -42.98 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 3.4 pm0 -81.73 -42.58 19.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.1 55.16 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -141.36 141.75 24.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -75.03 140.0 24.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 18.3 Cg_endo -74.96 -23.44 13.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.542 ' HB3' HE22 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -41.48 -28.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.542 HE22 ' HB3' ' A' ' 39' ' ' ASP . 17.5 mp0 -98.1 -36.31 10.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' PRO . 17.2 mm-40 -85.4 -179.54 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.357 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.31 119.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.668 ' H ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -87.71 161.71 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 48' ' ' LYS . 2.3 mm -134.28 159.54 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.684 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 23.1 t80 -162.1 124.47 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 34.44 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.18 26.89 56.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -115.75 150.74 36.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -77.68 106.85 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' CD2' HD23 ' A' ' 43' ' ' LEU . 1.5 mp -68.68 113.03 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -124.33 142.28 51.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -54.21 -24.55 18.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.19 -26.42 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.613 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 3.2 mmt85 -133.09 -174.31 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 28.3 p -114.07 -165.18 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 26' ' ' VAL . 6.7 mt -78.55 -41.84 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -65.17 -29.17 69.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 49.8 m-20 -69.88 -26.73 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-30 -102.28 4.06 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 70.6 25.37 4.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 62.3 mt -79.65 88.18 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -80.05 -169.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 162.31 24.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 60.95 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -106.69 166.4 10.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -133.59 112.83 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.8 mm? -93.86 145.74 24.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -99.18 109.24 21.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.647 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 7' ' ' THR . 13.0 tp . . . . . 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.538 0.209 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.61 148.23 38.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.545 HG22 ' H ' ' A' ' 65' ' ' SER . 3.9 pt -148.05 -173.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CZ ' ' OE1' ' A' ' 2' ' ' GLN . 40.3 m-85 -141.6 158.36 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.856 ' CG2' HD11 ' A' ' 13' ' ' ILE . 70.0 t -131.19 151.54 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -107.15 -164.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 171.26 172.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 71' ' ' LEU . 34.4 mt -59.63 -15.62 20.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.4 p -95.53 -3.96 45.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 76.59 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 -171.88 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.21 137.0 24.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.3 pp -125.5 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -84.1 103.5 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -102.99 172.0 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.394 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 72.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.062 HG11 HG13 ' A' ' 26' ' ' VAL . 23.3 m -103.28 -179.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.67 152.03 52.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.01 -5.31 16.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -111.41 6.56 20.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 55.4 m-20 -90.84 148.02 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.1 t -78.21 145.89 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 59' ' ' TYR . 7.5 mm -38.95 -52.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.83 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 4.7 t-20 -41.21 -59.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.062 HG13 HG11 ' A' ' 17' ' ' VAL . 3.7 t -56.12 -38.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 14.1 ttmt -78.74 -2.22 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -96.16 -44.26 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.01 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.524 HG23 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -41.57 -64.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 11.9 mm-40 -42.13 -27.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -90.4 -49.9 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -43.0 -58.71 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 2.9 pm0 -79.51 -45.41 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.64 49.47 1.03 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -135.67 141.37 36.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.93 140.51 25.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -75.01 -6.32 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.822 ' O ' HD21 ' A' ' 73' ' ' LEU . 3.6 m-20 -72.75 -3.88 27.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.835 ' HA ' HD11 ' A' ' 73' ' ' LEU . 10.3 mp0 -109.27 -28.82 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -143.02 153.68 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.01 163.24 25.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 30' ' ' ILE . 4.1 mm? -97.21 151.7 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.484 HG13 HG13 ' A' ' 70' ' ' VAL . 3.3 mm -131.53 154.75 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' HB2' HD12 ' A' ' 67' ' ' LEU . 36.1 t80 -162.26 120.72 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 75.95 4.97 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.05 18.21 58.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.579 1.174 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 161.37 17.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -78.49 117.36 19.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.2 mp -82.35 116.95 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 3.9 tp10 -125.53 166.53 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -67.83 -6.72 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.93 -68.95 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -118.0 -159.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 43.0 p -112.56 -179.87 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 26' ' ' VAL . 12.3 mt -57.83 -45.52 86.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 p -55.71 -52.45 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 50.7 m-20 -58.93 -26.36 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.3 m-30 -94.76 1.42 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.65 12.46 8.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 58.6 mt -78.57 85.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -170.06 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' CG ' ' H ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -62.52 166.24 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 43.22 54.91 4.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.545 ' H ' HG22 ' A' ' 3' ' ' ILE . 10.3 p -92.81 -178.83 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -150.97 108.45 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.597 1.185 . . . . 0.0 110.379 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -94.63 154.91 17.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.89 122.88 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -79.76 143.79 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG13 HG13 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -96.23 160.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -77.62 62.05 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 6.3 mtt180 48.19 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 ' HA ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -59.61 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.49 158.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.03 93.94 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.471 0.177 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.7 tt0 -147.1 106.31 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.243 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.714 HG22 ' H ' ' A' ' 65' ' ' SER . 18.0 pt -118.67 -170.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.804 ' HB3' HG23 ' A' ' 12' ' ' THR . 50.0 m-85 -137.73 153.77 49.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 13' ' ' ILE . 59.0 t -130.08 144.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.757 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -102.27 -151.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.757 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.91 170.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.7 -18.17 19.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -91.01 -16.21 28.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.27 80.32 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -136.65 -168.79 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.804 HG23 ' HB3' ' A' ' 4' ' ' PHE . 51.5 m -149.22 127.62 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.876 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.8 pp -126.11 126.57 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.764 HG23 ' HG2' ' A' ' 2' ' ' GLN . 2.6 m -79.3 103.37 9.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.38 168.9 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG11 HG13 ' A' ' 26' ' ' VAL . 6.7 m -113.97 -177.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -125.43 155.95 71.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 p -112.0 7.94 20.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 55' ' ' THR . 96.6 m-20 -91.11 146.35 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' H ' ' A' ' 25' ' ' ASN . 8.8 t -78.9 140.77 38.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.424 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 11.8 mm -39.51 -37.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -55.54 -62.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.544 ' H ' HG23 ' A' ' 22' ' ' THR . 7.5 t-20 -49.96 -48.53 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.115 HG21 HD21 ' A' ' 56' ' ' LEU . 3.8 t -59.12 -36.69 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.755 ' HA ' HD11 ' A' ' 30' ' ' ILE . 8.5 ttmt -82.94 -9.2 59.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -92.0 -49.21 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 17' ' ' VAL . 7.2 mttm -39.47 -59.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -46.71 -55.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.531 ' N ' HE21 ' A' ' 31' ' ' GLN . 4.6 mm-40 -53.76 -19.36 4.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -88.85 -21.02 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' ILE . 3.4 mmpt? -85.41 -52.35 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HG3' HG23 ' A' ' 36' ' ' ILE . 5.6 pm0 -79.31 -35.44 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.01 25.1 32.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -114.21 152.29 45.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.05 139.84 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -17.72 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.933 ' HG2' HD11 ' A' ' 73' ' ' LEU . 3.5 mp0 -101.78 -69.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.503 ' HG3' HD11 ' A' ' 36' ' ' ILE . 10.2 mm-40 -57.49 -176.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.42 114.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.998 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.92 144.35 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.649 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.4 mm -135.86 168.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.865 ' CB ' HD11 ' A' ' 50' ' ' LEU . 38.3 t80 -158.96 126.43 4.91 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 74.69 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.81 64.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -158.61 169.82 23.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -80.3 92.8 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.998 HD12 ' CD2' ' A' ' 43' ' ' LEU . 2.0 mt -67.35 109.72 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.8 tp10 -126.32 166.89 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 54' ' ' ARG . 14.0 m-20 -39.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 34.29 -97.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -112.37 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.1 p -93.06 -171.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.115 HD21 HG21 ' A' ' 26' ' ' VAL . 14.2 mt -69.13 -40.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 p -59.46 -52.07 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.71 -24.03 32.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.4 m-30 -94.89 1.14 55.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.72 21.42 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 54.7 mt -83.22 92.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.06 -173.5 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HB2' ' CG ' ' A' ' 1' ' ' MET . 14.0 tttt -72.7 161.56 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 63' ' ' LYS . 19.8 mm-40 56.7 35.17 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.714 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 p -80.36 165.8 21.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -131.37 101.09 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -86.09 160.65 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 34.0 m-70 -111.65 123.61 50.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 41' ' ' GLN . 1.5 mt -84.86 -161.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.23 170.24 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -44.07 161.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -105.96 170.54 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.933 HD11 ' HG2' ' A' ' 40' ' ' GLN . 3.3 mm? -58.24 -172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.46 111.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.388 1.055 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.08 -149.88 6.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.595 1.184 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.425 0.155 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.477 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 -167.28 132.85 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 65' ' ' SER . 23.1 pt -137.16 -173.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 56.4 m-85 -135.47 150.92 49.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.898 ' CG2' HD11 ' A' ' 13' ' ' ILE . 87.5 t -121.21 144.53 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -128.41 157.7 40.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.763 ' HB ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -144.45 -172.5 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.413 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -61.25 -11.34 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OG1' ' A' ' 7' ' ' THR . 14.9 t -91.96 -25.1 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.24 5.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.39 166.0 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.68 124.98 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.6 pp -120.45 128.82 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -80.26 92.39 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.46 169.73 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.4 125.67 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.931 HG11 HG13 ' A' ' 26' ' ' VAL . 1.4 m -147.15 153.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.49 150.74 47.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -5.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -108.11 5.9 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.6 m-20 -90.64 153.43 20.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 26' ' ' VAL . 9.3 t -78.06 167.32 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.451 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.626 HG13 ' CE2' ' A' ' 59' ' ' TYR . 2.5 mm -76.74 -4.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.739 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -90.59 -21.48 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -89.6 -35.93 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -69.52 -42.91 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.19 -6.82 58.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -90.6 -45.58 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -42.71 -45.53 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 8.2 pt -59.34 -41.7 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.6 mm-40 -57.7 -15.57 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.81 -20.47 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -88.87 -52.47 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG3' HG23 ' A' ' 36' ' ' ILE . 4.4 pm0 -78.97 -34.51 44.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 27.71 35.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.122 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' CG ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -117.97 153.76 51.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.13 140.74 25.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.495 ' HB3' HE22 ' A' ' 40' ' ' GLN . 0.1 OUTLIER -45.52 -27.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.714 ' HB3' HD13 ' A' ' 73' ' ' LEU . 18.3 mp0 -95.4 -68.06 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.708 ' CG ' HD11 ' A' ' 36' ' ' ILE . 11.6 mm-40 -52.75 158.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -154.13 120.66 5.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -85.21 147.96 26.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm -125.51 151.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 67' ' ' LEU . 29.2 t80 -149.73 119.43 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.17 21.1 8.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.48 -0.27 81.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -94.31 152.79 18.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LEU . 7.4 tt0 -78.91 99.08 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -40.12 -89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.42 148.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -69.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.67 -99.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -115.3 -149.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 0.815 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 20.7 p -106.3 -176.2 3.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.474 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 26' ' ' VAL . 13.8 mt -66.74 -42.44 86.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -60.71 -41.27 94.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.97 -30.34 67.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.4 m-30 -89.94 -4.81 57.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.212 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.63 18.84 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.727 HD11 HD11 ' A' ' 50' ' ' LEU . 21.7 mt -79.98 91.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -167.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.3 mttp -73.98 -177.61 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 37.88 43.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.234 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -92.67 165.58 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -136.27 109.02 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -93.37 147.8 22.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -106.87 115.94 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.879 HD12 ' H ' ' A' ' 70' ' ' VAL . 8.6 tp -86.14 149.12 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.879 ' H ' HD12 ' A' ' 69' ' ' LEU . 1.9 m -95.84 -174.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mp -48.43 134.9 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -70.83 -175.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.714 HD13 ' HB3' ' A' ' 40' ' ' GLN . 2.0 mp -150.5 -174.76 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 131.05 34.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.5 134.3 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.519 0.2 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 8.5 pt20 -78.85 101.17 7.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' A' ' 63' ' ' LYS . 28.2 pt -104.67 -171.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 34.2 m-85 -139.19 155.2 47.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.26 141.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.756 ' C ' HG22 ' A' ' 7' ' ' THR . 0.6 OUTLIER -100.4 -157.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.756 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.36 173.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.773 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -56.39 -18.18 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.477 HG22 HG23 ' A' ' 7' ' ' THR . 9.0 t -95.35 2.8 54.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.91 76.55 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -130.7 -172.76 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.41 126.6 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.5 125.8 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.26 124.27 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -122.41 164.92 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.64 70.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.989 HG11 HG13 ' A' ' 26' ' ' VAL . 35.6 m -88.2 -166.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -138.24 153.51 73.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HD3' ' CG ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.98 -16.75 20.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -105.39 9.18 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -91.38 148.64 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.2 t -78.78 146.12 33.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.576 1.173 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.888 HD13 ' CD2' ' A' ' 56' ' ' LEU . 30.9 mm -46.01 -27.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.42 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' H ' HG23 ' A' ' 22' ' ' THR . 9.5 t-20 -51.22 -35.03 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG11 ' A' ' 17' ' ' VAL . 21.5 t -70.18 -47.74 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 43' ' ' LEU . 2.3 ptpt -78.01 -4.67 48.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -94.48 -42.28 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 15' ' ' LEU . 1.3 mttm -46.75 -26.03 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' LYS . 6.3 pt -82.25 -41.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.611 ' N ' HE21 ' A' ' 31' ' ' GLN . 4.0 mm-40 -57.98 -25.6 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -29.14 17.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 7.9 mmtm -61.05 -29.85 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.209 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -119.93 -69.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.9 39.75 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -121.89 142.97 37.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.494 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.93 140.91 26.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.95 -19.9 17.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -26.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.9 mp0 -97.88 -64.62 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' PRO . 12.6 mm100 -65.46 141.14 58.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH2' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -132.98 137.01 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -92.98 149.69 21.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.485 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.1 mm -138.61 151.65 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.66 ' HB2' HD12 ' A' ' 67' ' ' LEU . 35.0 t80 -154.39 121.49 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.52 22.2 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -5.09 62.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -80.69 150.37 29.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -79.28 98.0 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD22 ' CD2' ' A' ' 59' ' ' TYR . 1.4 mt -66.64 111.27 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tp10 -124.98 152.4 44.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 3.6 p30 -58.1 -19.47 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -35.91 -48.81 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 14.9 mmt180 -124.0 -173.91 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -103.99 -165.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.888 ' CD2' HD13 ' A' ' 23' ' ' ILE . 8.1 mt -82.88 -39.18 21.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 18.0 p -58.2 -54.62 44.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 4.5 m-20 -53.94 -24.31 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.648 ' CD2' HD22 ' A' ' 50' ' ' LEU . 9.2 m-30 -98.13 5.06 48.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.62 22.42 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.0 mt -78.99 88.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -79.54 -173.92 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -74.06 161.41 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mt-10 64.95 26.23 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -177.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -151.05 114.18 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -99.43 154.93 17.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -103.18 118.07 35.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 2.2 mt -85.94 -162.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 m -145.9 167.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.51 118.49 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -59.53 167.32 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 73' ' ' LEU . 4.8 tp -74.77 -151.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 135.47 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.03 -125.76 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.514 0.197 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.706 ' CD ' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER -145.02 138.39 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 65' ' ' SER . 21.9 pt -134.7 -171.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 12' ' ' THR . 62.6 m-85 -135.43 160.29 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.485 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 58.4 t -133.85 141.69 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.735 ' C ' HG22 ' A' ' 7' ' ' THR . 0.3 OUTLIER -105.2 -159.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.24 174.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.986 HD11 ' HA ' ' A' ' 71' ' ' LEU . 63.4 mt -52.27 -19.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.58 ' OG1' HG23 ' A' ' 7' ' ' THR . 71.2 p -84.35 -42.88 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.91 50.77 2.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -109.69 170.12 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.8 m -126.98 103.42 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 HD12 ' A' ' 15' ' ' LEU . 1.1 pt -98.39 126.37 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD ' ' A' ' 2' ' ' GLN . 1.2 m -79.84 117.13 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.959 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -123.3 174.83 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -141.04 108.73 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.918 HG11 HG13 ' A' ' 26' ' ' VAL . 33.7 m -136.89 166.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -95.18 163.39 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.96 -27.13 10.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 15.57 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 77.4 m-20 -90.94 142.11 28.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.0 t -81.15 156.08 25.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.598 HG22 ' NZ ' ' A' ' 27' ' ' LYS . 4.7 mm -54.04 -43.57 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.706 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -54.34 -36.12 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' H ' HG23 ' A' ' 22' ' ' THR . 18.1 t-20 -70.72 -55.12 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.918 HG13 HG11 ' A' ' 17' ' ' VAL . 4.2 t -58.04 -40.64 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.23 -14.84 59.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -84.73 -20.25 31.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.0 -12.75 58.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.959 HG23 HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -107.16 -56.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 11.7 mm-40 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -90.82 -49.61 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.216 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmtt -38.16 -61.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 3.0 pm0 -78.11 -50.27 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.49 52.38 0.44 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -137.65 140.99 31.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -75.05 -24.35 12.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.72 -24.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.501 ' HG3' HD12 ' A' ' 73' ' ' LEU . 11.1 mp0 -86.15 -65.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.326 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 7.7 pt20 -107.24 146.64 31.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.87 175.92 6.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mm? -100.59 147.07 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -126.63 149.56 31.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 61' ' ' ILE . 39.4 t80 -152.34 118.73 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . . . 63.66 26.03 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.42 38.13 58.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -127.54 145.26 50.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.76 91.23 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -56.17 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.74 134.93 34.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.01 -23.25 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.29 42.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' CE2' ' A' ' 59' ' ' TYR . 1.4 mmt85 -128.63 162.15 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 70.6 p -112.03 -165.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 26' ' ' VAL . 16.9 mt -73.45 -42.06 62.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -66.15 -14.83 62.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.028 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 11.7 m-20 -81.49 -39.8 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 38.9 m-85 -100.07 6.94 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 8.9 m120 63.35 38.29 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.931 ' CD1' HD21 ' A' ' 50' ' ' LEU . 18.7 mt -82.91 88.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -79.31 -163.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 4.4 mtmt -70.78 173.69 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mt-10 38.12 48.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.676 ' H ' HG22 ' A' ' 3' ' ' ILE . 38.6 p -91.77 150.88 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -126.95 104.19 7.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 50' ' ' LEU . 1.7 mp -86.24 176.15 8.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.33 120.25 25.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -83.25 137.73 33.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 m -87.87 -172.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.986 ' HA ' HD11 ' A' ' 8' ' ' LEU . 4.0 mm? -40.13 153.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -112.58 92.13 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 73' ' ' LEU . 2.9 mt -53.97 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -146.32 170.66 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.1 -57.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.472 0.177 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.17 46.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 65' ' ' SER . 12.3 pt -137.48 -171.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' THR . 61.4 m-85 -146.49 162.78 37.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 HD23 ' A' ' 67' ' ' LEU . 91.5 t -137.77 141.79 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 10.8 mttt -99.28 -165.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER 173.15 170.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.04 HD11 ' HA ' ' A' ' 71' ' ' LEU . 44.7 mt -54.68 -18.99 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -83.21 -27.97 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.83 61.75 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.94 178.74 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.4 m -131.98 109.77 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -99.32 121.59 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.21 118.0 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 162.74 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.55 86.66 2.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.0 175.89 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.0 mt-10 -101.3 143.42 26.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 57' ' ' SER . 18.4 Cg_endo -74.93 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -115.92 8.91 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 26' ' ' VAL . 3.8 p-10 -90.98 156.47 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' ASN . 9.2 t -80.78 145.35 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 56' ' ' LEU . 7.2 mm -43.46 -34.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.43 -42.53 92.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' THR . 9.2 t-20 -60.6 -47.29 86.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 21' ' ' ASP . 42.8 t -66.32 -43.97 91.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -78.94 0.15 28.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -95.29 -36.46 11.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 3.6 mttp -64.9 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.547 HD12 HE21 ' A' ' 31' ' ' GLN . 0.5 OUTLIER -45.28 -56.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 15.5 mm-40 -52.83 -23.43 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -90.74 -40.83 11.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -60.48 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -79.61 -53.07 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.06 33.74 1.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -118.09 141.43 29.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.95 142.56 28.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.93 -22.01 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HG2' HD11 ' A' ' 73' ' ' LEU . 3.7 mp0 -91.82 -49.04 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -79.25 -167.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.14 132.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 27' ' ' LYS . 4.3 mm? -81.42 153.22 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 48' ' ' LYS . 5.2 mm -141.64 149.14 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 21.7 t80 -166.93 122.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.57 8.19 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.79 22.93 29.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.9 mptt -99.36 160.8 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 4.7 tt0 -79.46 -5.33 54.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.618 1.199 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 38.51 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -117.8 152.03 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -50.61 -21.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.407 1.067 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.2 -62.52 0.37 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.589 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -112.62 -177.46 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 29.0 p -102.72 -163.52 1.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 110.467 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HB3' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.06 -43.36 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . 58.5 p -59.79 -26.02 65.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 55.1 m-20 -75.48 -28.66 59.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 50' ' ' LEU . 16.1 m-30 -104.21 3.49 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.47 14.79 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.77 ' CD1' HD11 ' A' ' 50' ' ' LEU . 49.8 mt -78.93 95.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.34 144.24 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.636 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 73.25 124.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.636 ' C ' ' O ' ' A' ' 63' ' ' LYS . 2.0 mt-10 14.35 65.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.658 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 m -86.74 149.49 24.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.5 m -126.61 115.77 20.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.6 mm? -94.08 -177.61 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.233 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -136.84 115.02 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 69' ' ' LEU . 1.8 mt -79.41 142.6 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.821 HG23 HD22 ' A' ' 71' ' ' LEU . 4.9 m -92.95 -174.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.04 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -40.85 160.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 -162.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 40' ' ' GLN . 22.9 mt -102.23 177.73 4.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.52 154.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.53 -117.82 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 7.9 mt-30 -130.87 99.56 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 43.9 pt -102.25 -168.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.89 ' HB3' HG23 ' A' ' 12' ' ' THR . 27.7 m-85 -151.13 151.16 31.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.878 HG12 HG13 ' A' ' 13' ' ' ILE . 13.6 p -116.66 149.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.693 ' C ' HG22 ' A' ' 7' ' ' THR . 4.1 tttt -106.02 -156.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.693 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 166.58 175.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 71' ' ' LEU . 72.2 mt -56.21 -16.89 6.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 28.3 p -106.84 4.61 27.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 6' ' ' LYS . . . 49.61 83.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.142 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.89 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -168.58 92.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.466 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.878 HG13 HG12 ' A' ' 5' ' ' VAL . 1.1 pt -98.54 137.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 2' ' ' GLN . 20.0 m -80.87 124.88 29.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -118.57 171.12 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.83 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.786 HG12 ' HD2' ' A' ' 29' ' ' LYS . 17.8 m -106.78 174.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -113.23 158.77 37.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.0 -15.14 20.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.394 1.734 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -101.96 9.26 40.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.909 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 55' ' ' THR . 82.4 m-20 -90.41 141.79 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' ILE . 9.7 t -78.53 144.84 35.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG22 ' CE ' ' A' ' 27' ' ' LYS . 6.7 mm -39.24 -37.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -57.19 -65.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' H ' HG23 ' A' ' 22' ' ' THR . 8.5 t-20 -48.96 -46.06 42.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.694 HG13 HG11 ' A' ' 17' ' ' VAL . 36.1 t -60.73 -44.78 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 23' ' ' ILE . 2.1 ptpt -78.21 -6.16 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -93.28 -49.89 5.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.786 ' HD2' HG12 ' A' ' 17' ' ' VAL . 18.5 mttm -40.29 -54.73 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 5.6 pt -48.99 -43.97 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.774 ' N ' HE21 ' A' ' 31' ' ' GLN . 2.1 mm-40 -56.25 -17.13 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -90.49 -16.46 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -89.18 -53.62 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB2' HG23 ' A' ' 36' ' ' ILE . 3.0 pm0 -82.65 -44.39 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.97 12.3 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -96.52 153.98 38.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.11 140.23 24.93 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.98 -6.77 18.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.02 0.65 30.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.548 ' HB3' HD11 ' A' ' 73' ' ' LEU . 3.4 mp0 -101.08 -69.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.417 1.073 . . . . 0.0 110.365 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -90.13 160.86 16.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -138.48 149.27 45.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -98.88 147.74 24.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 48' ' ' LYS . 8.4 mm -125.63 153.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 67' ' ' LEU . 37.6 t80 -165.86 122.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.38 -39.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.94 -13.75 1.93 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.423 1.077 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.7 pttt -78.27 162.81 26.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -81.08 7.14 11.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 54.43 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.47 135.96 41.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -14.82 44.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.76 -24.74 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 76.9 mmt-85 -129.64 -175.6 3.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.3 p -120.72 -162.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 23' ' ' ILE . 14.7 mt -79.14 -43.31 24.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -62.23 -16.13 51.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.62 -34.94 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 14.9 m-30 -94.93 -0.47 53.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.8 m120 70.09 24.98 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 45' ' ' PHE . 36.8 mt -79.56 84.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -78.45 -173.71 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -73.63 153.17 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.7 OUTLIER 72.98 35.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.0 m -94.68 159.88 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -127.56 107.44 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.5 mm? -90.77 147.49 23.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 18.8 m-70 -97.07 121.39 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 1.9 mt -79.21 -176.42 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.53 -172.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.668 HD13 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -89.46 -167.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.704 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 87.54 29.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.232 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 178.86 -168.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -162.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 9' ' ' THR . . . -133.42 53.87 0.78 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HG3' ' A' ' 19' ' ' PRO . 1.6 mtt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.47 0.176 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.631 ' CG ' HG23 ' A' ' 14' ' ' THR . 0.7 OUTLIER -145.0 133.35 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 65' ' ' SER . 27.5 pt -131.14 -169.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB3' HG23 ' A' ' 12' ' ' THR . 42.6 m-85 -137.76 150.77 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.903 HG12 HG12 ' A' ' 13' ' ' ILE . 10.6 p -126.64 148.71 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.766 ' C ' HG22 ' A' ' 7' ' ' THR . 0.9 OUTLIER -106.27 -159.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.766 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 170.4 172.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.41 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.877 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.92 -17.58 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.47 ' OG1' HG23 ' A' ' 7' ' ' THR . 72.7 p -80.77 -52.11 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.81 65.95 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.1 ttmt -140.99 160.46 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.86 HG23 ' HB3' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -125.86 117.79 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.903 HG12 HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -112.8 141.52 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' CG ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -79.04 105.73 10.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.53 167.07 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.45 90.23 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.921 HG11 HG13 ' A' ' 26' ' ' VAL . 7.5 m -132.0 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -117.81 161.54 33.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HG3' ' HE3' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 -19.68 17.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -101.64 13.71 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 55' ' ' THR . 76.5 m-20 -90.92 144.77 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.1 t -79.26 153.88 29.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 59' ' ' TYR . 12.8 mm -53.47 -56.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tt0 -42.75 -34.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' H ' HG23 ' A' ' 22' ' ' THR . 18.9 t-20 -78.18 -58.88 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 56' ' ' LEU . 4.5 t -55.61 -36.86 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.1 ttpp -78.22 -8.04 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -93.22 -44.93 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HG3' HG12 ' A' ' 17' ' ' VAL . 29.4 mmmt -39.69 -63.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.27 -54.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 7.1 mm-40 -48.12 -26.79 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.46 -30.1 16.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -60.15 -34.57 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -109.59 -69.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.05 39.21 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -124.63 142.72 41.39 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.0 140.35 25.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.98 -22.46 14.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -40.72 -30.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.795 ' HG2' HD23 ' A' ' 73' ' ' LEU . 4.0 mp0 -93.31 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.25 176.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.6 ' CD ' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -158.02 149.05 21.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 30' ' ' ILE . 2.3 mm? -94.17 145.27 24.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.466 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.4 mm -139.2 133.43 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 67' ' ' LEU . 44.8 t80 -145.88 117.16 7.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 111.067 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.3 -47.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.185 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.48 47.12 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 163.55 34.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -79.44 90.51 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -57.97 103.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' GLY . 15.8 tp10 -122.36 167.66 13.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.6 p30 -39.63 -31.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 2.15 -82.35 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASP . 15.0 mmm180 -134.6 -150.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 18.4 p -99.02 -171.22 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 26' ' ' VAL . 11.9 mt -72.28 -44.04 63.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 p -62.1 -46.13 90.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.05 -23.53 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.7 m-30 -96.35 -2.58 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER 76.16 19.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 44.3 mt -79.07 89.09 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -79.37 170.49 16.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 11.0 mtmm -54.71 164.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.521 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 9.2 mm-40 49.65 42.95 24.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.567 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -86.8 164.39 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.092 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -132.72 110.0 10.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -96.22 147.18 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -101.36 121.32 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -85.9 -158.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.6 HG11 ' CD ' ' A' ' 42' ' ' ARG . 28.2 m -147.12 169.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -43.95 119.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -60.5 138.18 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.795 HD23 ' HG2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -65.47 -170.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.74 114.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.32 -102.76 2.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG2' ' CG ' ' A' ' 63' ' ' LYS . 18.4 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.476 0.179 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 -137.72 135.72 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.462 HD12 HD21 ' A' ' 67' ' ' LEU . 41.9 pt -133.51 -177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB3' HG23 ' A' ' 12' ' ' THR . 40.9 m-85 -134.33 163.54 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 HD23 ' A' ' 67' ' ' LEU . 59.0 t -133.42 137.88 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' C ' HG22 ' A' ' 7' ' ' THR . 11.2 tttt -99.17 -160.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.55 174.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 71' ' ' LEU . 70.9 mt -56.41 -17.35 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.1 p -93.99 1.27 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.45 66.14 1.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -169.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.88 HG23 ' HB3' ' A' ' 4' ' ' PHE . 7.6 m -150.52 120.99 7.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.49 127.37 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 2' ' ' GLN . 0.9 OUTLIER -78.71 139.63 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -150.64 169.86 20.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.3 pm0 -128.72 128.44 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.874 HG11 HG13 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -152.75 169.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -103.87 157.37 34.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.41 21.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.25 9.11 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 55' ' ' THR . 90.6 m-20 -90.54 143.54 26.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.882 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.1 t -77.67 165.74 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 24' ' ' GLU . 41.1 mm -61.23 -67.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.822 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.9 tt0 -33.46 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 18.1 t-20 -72.49 -58.32 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 56' ' ' LEU . 3.9 t -60.77 -36.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.58 -6.72 58.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.822 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -91.43 -46.83 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.0 mttm -39.99 -58.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -48.32 -52.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' OE1' ' C ' ' A' ' 37' ' ' PRO . 5.7 mm-40 -53.0 -24.37 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -28.73 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.2 -51.43 61.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 1.6 pm0 -88.44 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 42.0 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -128.8 144.11 51.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.02 140.37 25.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.07 -33.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.91 -28.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 38' ' ' PRO . 9.7 mp0 -80.28 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 2.9 pt20 -111.38 141.72 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -113.91 163.91 14.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 67' ' ' LEU . 1.3 mm? -93.41 155.5 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 3.3 mm -132.44 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 67' ' ' LEU . 30.0 t80 -165.95 123.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 69.09 11.88 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.52 33.27 39.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -124.94 159.29 31.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.47 103.8 8.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.1 mp -70.91 110.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 6.6 tt0 -120.89 155.91 33.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.57 -23.1 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.25 -32.32 1.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -127.81 175.11 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 21.3 p -110.39 -169.41 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 26' ' ' VAL . 14.9 mt -72.63 -39.06 67.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 p -61.39 -36.64 80.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -68.83 -31.41 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 12.5 m-30 -99.57 7.73 45.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER 56.17 28.9 13.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.653 ' O ' HG22 ' A' ' 61' ' ' ILE . 45.5 mt -79.26 78.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 15.1 pt20 -87.9 -158.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 1' ' ' MET . 3.2 mttp -58.43 153.64 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 40.54 69.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -89.74 -66.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' SER . 5.9 m 87.59 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.6 mm? -82.75 165.14 20.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 28.3 m-70 -118.07 118.49 32.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -82.11 146.55 29.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 71' ' ' LEU . 4.2 m -99.46 -166.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.814 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -106.46 -164.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.759 ' HG2' HD12 ' A' ' 71' ' ' LEU . 0.6 OUTLIER 73.52 131.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.267 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD12 ' HD3' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -150.73 -156.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HD3' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -40.05 134.41 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.54 105.1 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 4.9 mmt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.563 0.22 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -175.44 151.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.397 1.061 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.464 HG22 ' H ' ' A' ' 65' ' ' SER . 9.1 pt -150.02 -176.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.628 ' HB3' HG23 ' A' ' 12' ' ' THR . 55.5 m-85 -137.09 151.67 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' CG1' ' A' ' 13' ' ' ILE . 3.5 p -112.55 150.27 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.772 ' C ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -120.07 -156.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.625 1.203 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.772 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.68 172.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.373 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 71' ' ' LEU . 70.3 mt -59.73 -15.86 23.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -98.25 -37.03 9.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.552 ' H ' HG23 ' A' ' 7' ' ' THR . . . 103.16 105.03 2.93 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.518 1.137 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.81 -178.78 5.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -173.48 84.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.653 HD12 HD23 ' A' ' 15' ' ' LEU . 1.2 pp -92.28 139.13 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 m -84.44 91.28 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -97.95 170.34 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.62 115.02 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HG13 ' A' ' 26' ' ' VAL . 16.2 m -147.2 172.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.6 1.187 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.7 mt-10 -106.43 159.94 28.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.53 11.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.43 6.83 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 55' ' ' THR . 97.2 m-20 -86.69 149.06 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.46 163.34 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.584 HD13 HD23 ' A' ' 56' ' ' LEU . 40.0 mm -61.94 -49.77 82.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.758 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.9 mt-10 -54.08 -36.35 63.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -67.31 -52.6 38.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.959 HG13 HG11 ' A' ' 17' ' ' VAL . 21.9 t -62.15 -40.11 86.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HA ' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -75.6 -37.03 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -63.38 -53.39 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -59.8 -64.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.579 HE21 HD12 ' A' ' 30' ' ' ILE . 8.0 mm-40 -40.16 -28.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ILE . 4.3 m-20 -90.05 -45.06 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ILE . 27.0 mmtt -42.98 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 3.4 pm0 -81.73 -42.58 19.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.1 55.16 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -141.36 141.75 24.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -75.03 140.0 24.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 18.3 Cg_endo -74.96 -23.44 13.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.542 ' HB3' HE22 ' A' ' 40' ' ' GLN . 0.5 OUTLIER -41.48 -28.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.542 HE22 ' HB3' ' A' ' 39' ' ' ASP . 17.5 mp0 -98.1 -36.31 10.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' PRO . 17.2 mm-40 -85.4 -179.54 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.357 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.31 119.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.668 ' H ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -87.71 161.71 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 48' ' ' LYS . 2.3 mm -134.28 159.54 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.684 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 23.1 t80 -162.1 124.47 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 34.44 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.18 26.89 56.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -115.75 150.74 36.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -77.68 106.85 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' CD2' HD23 ' A' ' 43' ' ' LEU . 1.5 mp -68.68 113.03 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -124.33 142.28 51.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -54.21 -24.55 18.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.19 -26.42 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.613 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 3.2 mmt85 -133.09 -174.31 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 28.3 p -114.07 -165.18 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 26' ' ' VAL . 6.7 mt -78.55 -41.84 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -65.17 -29.17 69.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 49.8 m-20 -69.88 -26.73 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-30 -102.28 4.06 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 70.6 25.37 4.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 62.3 mt -79.65 88.18 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -80.05 -169.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -68.07 162.31 24.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 60.95 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -106.69 166.4 10.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -133.59 112.83 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.8 mm? -93.86 145.74 24.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -99.18 109.24 21.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.647 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD12 ' H ' ' A' ' 70' ' ' VAL . 13.0 tp -80.07 150.33 30.35 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.87 ' H ' HD12 ' A' ' 69' ' ' LEU . 1.9 m -89.65 -158.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' N ' HG23 ' A' ' 70' ' ' VAL . 2.9 mm? -38.5 126.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -79.8 163.29 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -135.14 -174.43 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.19 138.24 20.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.03 97.63 0.11 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.431 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.545 HG22 ' H ' ' A' ' 65' ' ' SER . 3.9 pt -148.05 -173.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CZ ' ' OE1' ' A' ' 2' ' ' GLN . 40.3 m-85 -141.6 158.36 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.856 ' CG2' HD11 ' A' ' 13' ' ' ILE . 70.0 t -131.19 151.54 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -107.15 -164.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 171.26 172.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' N ' ' OG1' ' A' ' 7' ' ' THR . 34.4 mt -59.63 -15.62 20.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.4 p -95.53 -3.96 45.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 76.59 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 -171.88 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.21 137.0 24.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.3 pp -125.5 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -84.1 103.5 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -102.99 172.0 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.394 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 72.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.062 HG11 HG13 ' A' ' 26' ' ' VAL . 23.3 m -103.28 -179.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.67 152.03 52.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.01 -5.31 16.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -111.41 6.56 20.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 55.4 m-20 -90.84 148.02 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.1 t -78.21 145.89 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 59' ' ' TYR . 7.5 mm -38.95 -52.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.83 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -41.21 -59.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.062 HG13 HG11 ' A' ' 17' ' ' VAL . 3.7 t -56.12 -38.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 14.1 ttmt -78.74 -2.22 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -96.16 -44.26 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.01 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.524 HG23 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -41.57 -64.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 11.9 mm-40 -42.13 -27.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -90.4 -49.9 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -43.0 -58.71 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 2.9 pm0 -79.51 -45.41 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.64 49.47 1.03 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -135.67 141.37 36.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.93 140.51 25.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -75.01 -6.32 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.75 -3.88 27.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 2.3 mp0 -109.27 -28.82 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -143.02 153.68 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.01 163.24 25.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 30' ' ' ILE . 4.1 mm? -97.21 151.7 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 3.3 mm -131.53 154.75 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' HB2' HD12 ' A' ' 67' ' ' LEU . 36.1 t80 -162.26 120.72 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 75.95 4.97 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.05 18.21 58.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.579 1.174 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 161.37 17.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -78.49 117.36 19.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.2 mp -82.35 116.95 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 3.9 tp10 -125.53 166.53 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -67.83 -6.72 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.93 -68.95 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -118.0 -159.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 43.0 p -112.56 -179.87 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 26' ' ' VAL . 12.3 mt -57.83 -45.52 86.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 p -55.71 -52.45 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 50.7 m-20 -58.93 -26.36 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.3 m-30 -94.76 1.42 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.65 12.46 8.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 58.6 mt -78.57 85.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -170.06 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.52 166.24 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 43.22 54.91 4.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.545 ' H ' HG22 ' A' ' 3' ' ' ILE . 10.3 p -92.81 -178.83 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -150.97 108.45 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.597 1.185 . . . . 0.0 110.379 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -94.63 154.91 17.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.89 122.88 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.714 HG22 ' H ' ' A' ' 65' ' ' SER . 18.0 pt -118.67 -170.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.804 ' HB3' HG23 ' A' ' 12' ' ' THR . 50.0 m-85 -137.73 153.77 49.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 13' ' ' ILE . 59.0 t -130.08 144.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.757 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -102.27 -151.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.757 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.91 170.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.7 -18.17 19.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -91.01 -16.21 28.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.27 80.32 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -136.65 -168.79 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.804 HG23 ' HB3' ' A' ' 4' ' ' PHE . 51.5 m -149.22 127.62 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.876 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.8 pp -126.11 126.57 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.764 HG23 ' HG2' ' A' ' 2' ' ' GLN . 2.6 m -79.3 103.37 9.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.38 168.9 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG11 HG13 ' A' ' 26' ' ' VAL . 6.7 m -113.97 -177.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -125.43 155.95 71.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 p -112.0 7.94 20.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 55' ' ' THR . 96.6 m-20 -91.11 146.35 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' H ' ' A' ' 25' ' ' ASN . 8.8 t -78.9 140.77 38.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.424 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 11.8 mm -39.51 -37.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -55.54 -62.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.544 ' H ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -49.96 -48.53 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.115 HG21 HD21 ' A' ' 56' ' ' LEU . 3.8 t -59.12 -36.69 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.755 ' HA ' HD11 ' A' ' 30' ' ' ILE . 8.5 ttmt -82.94 -9.2 59.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -92.0 -49.21 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 17' ' ' VAL . 7.2 mttm -39.47 -59.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -46.71 -55.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.531 HE21 ' N ' ' A' ' 31' ' ' GLN . 4.6 mm-40 -53.76 -19.36 4.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -88.85 -21.02 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' ILE . 3.4 mmpt? -85.41 -52.35 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HG3' HG23 ' A' ' 36' ' ' ILE . 5.6 pm0 -79.31 -35.44 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.01 25.1 32.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -114.21 152.29 45.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.05 139.84 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -17.72 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -101.78 -69.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.503 ' HG3' HD11 ' A' ' 36' ' ' ILE . 10.2 mm-40 -57.49 -176.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.42 114.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.998 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.92 144.35 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.649 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.4 mm -135.86 168.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.865 ' CB ' HD11 ' A' ' 50' ' ' LEU . 38.3 t80 -158.96 126.43 4.91 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 74.69 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.81 64.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -158.61 169.82 23.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -80.3 92.8 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.998 HD12 ' CD2' ' A' ' 43' ' ' LEU . 2.0 mt -67.35 109.72 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.8 tp10 -126.32 166.89 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 54' ' ' ARG . 14.0 m-20 -39.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 34.29 -97.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -112.37 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.1 p -93.06 -171.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.115 HD21 HG21 ' A' ' 26' ' ' VAL . 14.2 mt -69.13 -40.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 p -59.46 -52.07 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.71 -24.03 32.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.4 m-30 -94.89 1.14 55.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.72 21.42 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 54.7 mt -83.22 92.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.06 -173.5 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 64' ' ' GLU . 14.0 tttt -72.7 161.56 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 63' ' ' LYS . 19.8 mm-40 56.7 35.17 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.714 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 p -80.36 165.8 21.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -131.37 101.09 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -86.09 160.65 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 34.0 m-70 -111.65 123.61 50.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 41' ' ' GLN . 1.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.477 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 65' ' ' SER . 23.1 pt -137.16 -173.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 56.4 m-85 -135.47 150.92 49.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.898 ' CG2' HD11 ' A' ' 13' ' ' ILE . 87.5 t -121.21 144.53 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -128.41 157.7 40.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.763 ' HB ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -144.45 -172.5 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.413 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -61.25 -11.34 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OG1' ' A' ' 7' ' ' THR . 14.9 t -91.96 -25.1 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.24 5.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.39 166.0 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.68 124.98 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.6 pp -120.45 128.82 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -80.26 92.39 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.46 169.73 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.4 125.67 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.931 HG11 HG13 ' A' ' 26' ' ' VAL . 1.4 m -147.15 153.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.49 150.74 47.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -5.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -108.11 5.9 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.6 m-20 -90.64 153.43 20.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 26' ' ' VAL . 9.3 t -78.06 167.32 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.451 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.626 HG13 ' CE2' ' A' ' 59' ' ' TYR . 2.5 mm -76.74 -4.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.739 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -90.59 -21.48 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.712 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -89.6 -35.93 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -69.52 -42.91 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.19 -6.82 58.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -90.6 -45.58 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -42.71 -45.53 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 8.2 pt -59.34 -41.7 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.676 HE21 ' N ' ' A' ' 31' ' ' GLN . 2.6 mm-40 -57.7 -15.57 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.81 -20.47 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -88.87 -52.47 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG3' HG23 ' A' ' 36' ' ' ILE . 4.4 pm0 -78.97 -34.51 44.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 27.71 35.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.122 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' CG ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -117.97 153.76 51.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.13 140.74 25.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.446 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.52 -27.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 38' ' ' PRO . 3.6 mp0 -95.4 -68.06 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.708 ' CG ' HD11 ' A' ' 36' ' ' ILE . 11.6 mm-40 -52.75 158.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.13 120.66 5.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -85.21 147.96 26.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm -125.51 151.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 67' ' ' LEU . 29.2 t80 -149.73 119.43 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.17 21.1 8.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.48 -0.27 81.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -94.31 152.79 18.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.91 99.08 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -40.12 -89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.42 148.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -69.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.67 -99.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -115.3 -149.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 0.815 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 20.7 p -106.3 -176.2 3.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.474 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 26' ' ' VAL . 13.8 mt -66.74 -42.44 86.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -60.71 -41.27 94.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.97 -30.34 67.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.4 m-30 -89.94 -4.81 57.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.212 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.63 18.84 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.727 HD11 HD11 ' A' ' 50' ' ' LEU . 21.7 mt -79.98 91.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -167.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.3 mttp -73.98 -177.61 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 37.88 43.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.234 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -92.67 165.58 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -136.27 109.02 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -93.37 147.8 22.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -106.87 115.94 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.763 HD23 ' HB ' ' A' ' 7' ' ' THR . 8.6 tp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 8.5 pt20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' A' ' 63' ' ' LYS . 28.2 pt -104.67 -171.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 34.2 m-85 -139.19 155.2 47.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.26 141.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.756 ' C ' HG22 ' A' ' 7' ' ' THR . 0.6 OUTLIER -100.4 -157.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.756 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.36 173.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -56.39 -18.18 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.477 HG22 HG23 ' A' ' 7' ' ' THR . 9.0 t -95.35 2.8 54.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.91 76.55 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -130.7 -172.76 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.41 126.6 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.5 125.8 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.26 124.27 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -122.41 164.92 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.64 70.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.989 HG11 HG13 ' A' ' 26' ' ' VAL . 35.6 m -88.2 -166.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -138.24 153.51 73.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 57' ' ' SER . 18.2 Cg_endo -74.98 -16.75 20.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -105.39 9.18 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -91.38 148.64 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.2 t -78.78 146.12 33.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.576 1.173 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.888 HD13 ' CD2' ' A' ' 56' ' ' LEU . 30.9 mm -46.01 -27.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.42 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.617 ' H ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -51.22 -35.03 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG11 ' A' ' 17' ' ' VAL . 21.5 t -70.18 -47.74 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 43' ' ' LEU . 2.3 ptpt -78.01 -4.67 48.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -94.48 -42.28 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 15' ' ' LEU . 1.3 mttm -46.75 -26.03 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' LYS . 6.3 pt -82.25 -41.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.611 HE21 ' N ' ' A' ' 31' ' ' GLN . 4.0 mm-40 -57.98 -25.6 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -29.14 17.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 7.9 mmtm -61.05 -29.85 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.209 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -119.93 -69.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.9 39.75 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -121.89 142.97 37.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.494 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.93 140.91 26.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.95 -19.9 17.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -26.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.9 mp0 -97.88 -64.62 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' PRO . 12.6 mm100 -65.46 141.14 58.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH2' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -132.98 137.01 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -92.98 149.69 21.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.485 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.1 mm -138.61 151.65 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.66 ' HB2' HD12 ' A' ' 67' ' ' LEU . 35.0 t80 -154.39 121.49 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.52 22.2 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -5.09 62.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -80.69 150.37 29.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -79.28 98.0 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD22 ' CD2' ' A' ' 59' ' ' TYR . 1.4 mt -66.64 111.27 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tp10 -124.98 152.4 44.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 3.6 p30 -58.1 -19.47 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -35.91 -48.81 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 14.9 mmt180 -124.0 -173.91 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -103.99 -165.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.888 ' CD2' HD13 ' A' ' 23' ' ' ILE . 8.1 mt -82.88 -39.18 21.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 18.0 p -58.2 -54.62 44.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 4.5 m-20 -53.94 -24.31 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.648 ' CD2' HD22 ' A' ' 50' ' ' LEU . 9.2 m-30 -98.13 5.06 48.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.62 22.42 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.0 mt -78.99 88.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -79.54 -173.92 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -74.06 161.41 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mt-10 64.95 26.23 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -177.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -151.05 114.18 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -99.43 154.93 17.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -103.18 118.07 35.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 2.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.706 ' CD ' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 65' ' ' SER . 21.9 pt -134.7 -171.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 12' ' ' THR . 62.6 m-85 -135.43 160.29 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.485 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 58.4 t -133.85 141.69 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.735 ' C ' HG22 ' A' ' 7' ' ' THR . 0.3 OUTLIER -105.2 -159.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.24 174.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.494 ' N ' ' OG1' ' A' ' 7' ' ' THR . 63.4 mt -52.27 -19.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.58 ' OG1' HG23 ' A' ' 7' ' ' THR . 71.2 p -84.35 -42.88 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.91 50.77 2.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -109.69 170.12 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.8 m -126.98 103.42 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 HD12 ' A' ' 15' ' ' LEU . 1.1 pt -98.39 126.37 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD ' ' A' ' 2' ' ' GLN . 1.2 m -79.84 117.13 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.959 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -123.3 174.83 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -141.04 108.73 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.918 HG11 HG13 ' A' ' 26' ' ' VAL . 33.7 m -136.89 166.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -95.18 163.39 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.96 -27.13 10.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 15.57 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 77.4 m-20 -90.94 142.11 28.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.0 t -81.15 156.08 25.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.598 HG22 ' NZ ' ' A' ' 27' ' ' LYS . 4.7 mm -54.04 -43.57 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.706 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -54.34 -36.12 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -70.72 -55.12 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.918 HG13 HG11 ' A' ' 17' ' ' VAL . 4.2 t -58.04 -40.64 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.23 -14.84 59.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -84.73 -20.25 31.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.0 -12.75 58.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.959 HG23 HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -107.16 -56.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 11.7 mm-40 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -90.82 -49.61 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.216 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmtt -38.16 -61.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 3.0 pm0 -78.11 -50.27 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.49 52.38 0.44 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -137.65 140.99 31.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -75.05 -24.35 12.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.72 -24.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 2.4 mp0 -86.15 -65.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.326 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 7.7 pt20 -107.24 146.64 31.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.87 175.92 6.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mm? -100.59 147.07 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -126.63 149.56 31.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 61' ' ' ILE . 39.4 t80 -152.34 118.73 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . . . 63.66 26.03 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.42 38.13 58.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -127.54 145.26 50.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.76 91.23 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -56.17 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.74 134.93 34.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.01 -23.25 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.29 42.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' CE2' ' A' ' 59' ' ' TYR . 1.4 mmt85 -128.63 162.15 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 70.6 p -112.03 -165.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 26' ' ' VAL . 16.9 mt -73.45 -42.06 62.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -66.15 -14.83 62.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.028 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 11.7 m-20 -81.49 -39.8 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 38.9 m-85 -100.07 6.94 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 4.9 m-80 63.35 38.29 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.931 ' CD1' HD21 ' A' ' 50' ' ' LEU . 18.7 mt -82.91 88.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -79.31 -163.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 4.4 mtmt -70.78 173.69 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mt-10 38.12 48.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.676 ' H ' HG22 ' A' ' 3' ' ' ILE . 38.6 p -91.77 150.88 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -126.95 104.19 7.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 50' ' ' LEU . 1.7 mp -86.24 176.15 8.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -129.33 120.25 25.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 65' ' ' SER . 12.3 pt -137.48 -171.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' THR . 61.4 m-85 -146.49 162.78 37.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 HD23 ' A' ' 67' ' ' LEU . 91.5 t -137.77 141.79 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 10.8 mttt -99.28 -165.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER 173.15 170.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' OG1' ' A' ' 7' ' ' THR . 44.7 mt -54.68 -18.99 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -83.21 -27.97 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.83 61.75 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.94 178.74 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.4 m -131.98 109.77 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -99.32 121.59 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.21 118.0 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 162.74 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.55 86.66 2.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.0 175.89 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.0 mt-10 -101.3 143.42 26.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 57' ' ' SER . 18.4 Cg_endo -74.93 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -115.92 8.91 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 26' ' ' VAL . 3.8 p-10 -90.98 156.47 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' ASN . 9.2 t -80.78 145.35 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 56' ' ' LEU . 7.2 mm -43.46 -34.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.43 -42.53 92.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -60.6 -47.29 86.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 21' ' ' ASP . 42.8 t -66.32 -43.97 91.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -78.94 0.15 28.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -95.29 -36.46 11.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 3.6 mttp -64.9 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 HD12 HE21 ' A' ' 31' ' ' GLN . 0.5 OUTLIER -45.28 -56.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 15.5 mm-40 -52.83 -23.43 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -90.74 -40.83 11.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -60.48 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -79.61 -53.07 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.06 33.74 1.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -118.09 141.43 29.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.95 142.56 28.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.93 -22.01 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.7 mp0 -91.82 -49.04 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.25 -167.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.14 132.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 27' ' ' LYS . 4.3 mm? -81.42 153.22 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 48' ' ' LYS . 5.2 mm -141.64 149.14 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 21.7 t80 -166.93 122.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.57 8.19 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.79 22.93 29.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.9 mptt -99.36 160.8 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 49' ' ' GLN . 4.7 tt0 -79.46 -5.33 54.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.618 1.199 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 38.51 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -117.8 152.03 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -50.61 -21.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.407 1.067 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.2 -62.52 0.37 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.589 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -112.62 -177.46 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 29.0 p -102.72 -163.52 1.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 110.467 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HB3' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.06 -43.36 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . 58.5 p -59.79 -26.02 65.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 55.1 m-20 -75.48 -28.66 59.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 50' ' ' LEU . 16.1 m-30 -104.21 3.49 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.47 14.79 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.77 ' CD1' HD11 ' A' ' 50' ' ' LEU . 49.8 mt -78.93 95.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.34 144.24 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.636 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 73.25 124.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.636 ' C ' ' O ' ' A' ' 63' ' ' LYS . 2.0 mt-10 14.35 65.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.658 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 m -86.74 149.49 24.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.5 m -126.61 115.77 20.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.642 HD13 ' CD1' ' A' ' 45' ' ' PHE . 1.6 mm? -94.08 -177.61 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.233 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -136.84 115.02 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 69' ' ' LEU . 1.8 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 7.9 mt-30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 43.9 pt -102.25 -168.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.89 ' HB3' HG23 ' A' ' 12' ' ' THR . 27.7 m-85 -151.13 151.16 31.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.878 HG12 HG13 ' A' ' 13' ' ' ILE . 13.6 p -116.66 149.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.693 ' C ' HG22 ' A' ' 7' ' ' THR . 4.1 tttt -106.02 -156.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.693 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 166.58 175.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' OG1' ' A' ' 7' ' ' THR . 72.2 mt -56.21 -16.89 6.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -106.84 4.61 27.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 6' ' ' LYS . . . 49.61 83.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.142 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.89 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -168.58 92.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.466 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.878 HG13 HG12 ' A' ' 5' ' ' VAL . 1.1 pt -98.54 137.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 2' ' ' GLN . 20.0 m -80.87 124.88 29.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -118.57 171.12 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.83 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.786 HG12 ' HD2' ' A' ' 29' ' ' LYS . 17.8 m -106.78 174.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -113.23 158.77 37.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.0 -15.14 20.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.394 1.734 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -101.96 9.26 40.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.909 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 55' ' ' THR . 82.4 m-20 -90.41 141.79 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' ILE . 9.7 t -78.53 144.84 35.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG22 ' CE ' ' A' ' 27' ' ' LYS . 6.7 mm -39.24 -37.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -57.19 -65.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' H ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -48.96 -46.06 42.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.694 HG13 HG11 ' A' ' 17' ' ' VAL . 36.1 t -60.73 -44.78 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 23' ' ' ILE . 2.1 ptpt -78.21 -6.16 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -93.28 -49.89 5.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.786 ' HD2' HG12 ' A' ' 17' ' ' VAL . 18.5 mttm -40.29 -54.73 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 5.6 pt -48.99 -43.97 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.774 HE21 ' N ' ' A' ' 31' ' ' GLN . 2.1 mm-40 -56.25 -17.13 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -90.49 -16.46 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -89.18 -53.62 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB2' HG23 ' A' ' 36' ' ' ILE . 3.0 pm0 -82.65 -44.39 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.97 12.3 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -96.52 153.98 38.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.11 140.23 24.93 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.98 -6.77 18.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.02 0.65 30.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 40' ' ' GLN . 0.3 OUTLIER -101.08 -69.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.417 1.073 . . . . 0.0 110.365 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -90.13 160.86 16.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -138.48 149.27 45.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -98.88 147.74 24.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 48' ' ' LYS . 8.4 mm -125.63 153.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 67' ' ' LEU . 37.6 t80 -165.86 122.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.38 -39.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.94 -13.75 1.93 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.423 1.077 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.7 pttt -78.27 162.81 26.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -81.08 7.14 11.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 54.43 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.47 135.96 41.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -14.82 44.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.76 -24.74 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 76.9 mmt-85 -129.64 -175.6 3.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.3 p -120.72 -162.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 23' ' ' ILE . 14.7 mt -79.14 -43.31 24.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -62.23 -16.13 51.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.62 -34.94 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 14.9 m-30 -94.93 -0.47 53.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.9 m-80 70.09 24.98 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 45' ' ' PHE . 36.8 mt -79.56 84.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -78.45 -173.71 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -73.63 153.17 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.7 OUTLIER 72.98 35.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.0 m -94.68 159.88 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -127.56 107.44 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.5 mm? -90.77 147.49 23.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 18.8 m-70 -97.07 121.39 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 1.9 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.631 ' CG ' HG23 ' A' ' 14' ' ' THR . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 65' ' ' SER . 27.5 pt -131.14 -169.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB3' HG23 ' A' ' 12' ' ' THR . 42.6 m-85 -137.76 150.77 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.903 HG12 HG12 ' A' ' 13' ' ' ILE . 10.6 p -126.64 148.71 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.766 ' C ' HG22 ' A' ' 7' ' ' THR . 0.9 OUTLIER -106.27 -159.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.766 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 170.4 172.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.41 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.877 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.92 -17.58 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.47 ' OG1' HG23 ' A' ' 7' ' ' THR . 72.7 p -80.77 -52.11 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.81 65.95 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.1 ttmt -140.99 160.46 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.86 HG23 ' HB3' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -125.86 117.79 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.903 HG12 HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -112.8 141.52 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' CG ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -79.04 105.73 10.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.53 167.07 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.45 90.23 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.921 HG11 HG13 ' A' ' 26' ' ' VAL . 7.5 m -132.0 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -117.81 161.54 33.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.68 17.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -101.64 13.71 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 55' ' ' THR . 76.5 m-20 -90.92 144.77 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.1 t -79.26 153.88 29.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 59' ' ' TYR . 12.8 mm -53.47 -56.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tt0 -42.75 -34.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -78.18 -58.88 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 56' ' ' LEU . 4.5 t -55.61 -36.86 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.1 ttpp -78.22 -8.04 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -93.22 -44.93 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HG3' HG12 ' A' ' 17' ' ' VAL . 29.4 mmmt -39.69 -63.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.27 -54.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 7.1 mm-40 -48.12 -26.79 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.46 -30.1 16.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -60.15 -34.57 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -109.59 -69.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.05 39.21 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -124.63 142.72 41.39 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.447 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.0 140.35 25.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.98 -22.46 14.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -40.72 -30.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 4.0 mp0 -93.31 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.25 176.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CD ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -158.02 149.05 21.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 30' ' ' ILE . 2.3 mm? -94.17 145.27 24.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.466 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.4 mm -139.2 133.43 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 67' ' ' LEU . 44.8 t80 -145.88 117.16 7.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 111.067 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.3 -47.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.185 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.48 47.12 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 163.55 34.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -79.44 90.51 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -57.97 103.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' GLY . 15.8 tp10 -122.36 167.66 13.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.6 p30 -39.63 -31.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 2.15 -82.35 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASP . 15.0 mmm180 -134.6 -150.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 18.4 p -99.02 -171.22 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 26' ' ' VAL . 11.9 mt -72.28 -44.04 63.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 p -62.1 -46.13 90.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.05 -23.53 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.7 m-30 -96.35 -2.58 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.6 t-20 76.16 19.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 44.3 mt -79.07 89.09 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -79.37 170.49 16.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -54.71 164.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.521 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 9.2 mm-40 49.65 42.95 24.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.567 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -86.8 164.39 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.092 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -132.72 110.0 10.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -96.22 147.18 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -101.36 121.32 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.462 HD12 HD21 ' A' ' 67' ' ' LEU . 41.9 pt -133.51 -177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB3' HG23 ' A' ' 12' ' ' THR . 40.9 m-85 -134.33 163.54 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 HD23 ' A' ' 67' ' ' LEU . 59.0 t -133.42 137.88 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.752 ' C ' HG22 ' A' ' 7' ' ' THR . 11.2 tttt -99.17 -160.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.55 174.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.9 mt -56.41 -17.35 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.1 p -93.99 1.27 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.45 66.14 1.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -169.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.88 HG23 ' HB3' ' A' ' 4' ' ' PHE . 7.6 m -150.52 120.99 7.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.49 127.37 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 2' ' ' GLN . 0.9 OUTLIER -78.71 139.63 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -150.64 169.86 20.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.3 pm0 -128.72 128.44 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.874 HG11 HG13 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -152.75 169.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -103.87 157.37 34.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.41 21.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.25 9.11 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 55' ' ' THR . 90.6 m-20 -90.54 143.54 26.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.882 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.1 t -77.67 165.74 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 24' ' ' GLU . 41.1 mm -61.23 -67.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.822 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.9 tt0 -33.46 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -72.49 -58.32 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 56' ' ' LEU . 3.9 t -60.77 -36.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.58 -6.72 58.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.822 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -91.43 -46.83 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.0 mttm -39.99 -58.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -48.32 -52.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.501 ' OE1' ' C ' ' A' ' 37' ' ' PRO . 5.7 mm-40 -53.0 -24.37 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -28.73 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.2 -51.43 61.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 1.6 pm0 -88.44 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 42.0 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -128.8 144.11 51.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.02 140.37 25.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.07 -33.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.91 -28.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 38' ' ' PRO . 2.0 mp0 -80.28 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 8.4 pt20 -111.38 141.72 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -113.91 163.91 14.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 67' ' ' LEU . 1.3 mm? -93.41 155.5 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 3.3 mm -132.44 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 67' ' ' LEU . 30.0 t80 -165.95 123.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 69.09 11.88 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.52 33.27 39.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -124.94 159.29 31.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.47 103.8 8.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.1 mp -70.91 110.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 6.6 tt0 -120.89 155.91 33.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.57 -23.1 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.25 -32.32 1.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -127.81 175.11 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 21.3 p -110.39 -169.41 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 26' ' ' VAL . 14.9 mt -72.63 -39.06 67.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 p -61.39 -36.64 80.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -68.83 -31.41 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 12.5 m-30 -99.57 7.73 45.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 56.17 28.9 13.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 61' ' ' ILE . 45.5 mt -79.26 78.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 4.5 pt20 -87.9 -158.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 62' ' ' GLN . 3.2 mttp -58.43 153.64 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 40.54 69.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -89.74 -66.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' SER . 5.9 m 87.59 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.6 mm? -82.75 165.14 20.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 28.3 m-70 -118.07 118.49 32.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.464 HG22 ' H ' ' A' ' 65' ' ' SER . 9.1 pt -150.02 -176.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.628 ' HB3' HG23 ' A' ' 12' ' ' THR . 55.5 m-85 -137.09 151.67 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' CG1' ' A' ' 13' ' ' ILE . 3.5 p -112.55 150.27 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.772 ' C ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -120.07 -156.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.625 1.203 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.772 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.68 172.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.373 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' N ' ' OG1' ' A' ' 7' ' ' THR . 70.3 mt -59.73 -15.86 23.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -98.25 -37.03 9.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.552 ' H ' HG23 ' A' ' 7' ' ' THR . . . 103.16 105.03 2.93 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.518 1.137 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.81 -178.78 5.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -173.48 84.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.653 HD12 HD23 ' A' ' 15' ' ' LEU . 1.2 pp -92.28 139.13 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 m -84.44 91.28 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -97.95 170.34 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.62 115.02 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HG13 ' A' ' 26' ' ' VAL . 16.2 m -147.2 172.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.6 1.187 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.7 mt-10 -106.43 159.94 28.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.53 11.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.43 6.83 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 55' ' ' THR . 97.2 m-20 -86.69 149.06 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.46 163.34 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.584 HD13 HD23 ' A' ' 56' ' ' LEU . 40.0 mm -61.94 -49.77 82.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.758 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.9 mt-10 -54.08 -36.35 63.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -67.31 -52.6 38.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.959 HG13 HG11 ' A' ' 17' ' ' VAL . 21.9 t -62.15 -40.11 86.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HA ' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -75.6 -37.03 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -63.38 -53.39 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -59.8 -64.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.579 HE21 HD12 ' A' ' 30' ' ' ILE . 8.0 mm-40 -40.16 -28.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ILE . 4.3 m-20 -90.05 -45.06 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ILE . 27.0 mmtt -42.98 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 3.4 pm0 -81.73 -42.58 19.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.1 55.16 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -141.36 141.75 24.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -75.03 140.0 24.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 18.3 Cg_endo -74.96 -23.44 13.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.48 -28.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -98.1 -36.31 10.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' PRO . 17.2 mm-40 -85.4 -179.54 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.357 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.31 119.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.668 ' H ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -87.71 161.71 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 48' ' ' LYS . 2.3 mm -134.28 159.54 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.684 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 23.1 t80 -162.1 124.47 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 34.44 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.18 26.89 56.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -115.75 150.74 36.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -77.68 106.85 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' CD2' HD23 ' A' ' 43' ' ' LEU . 1.5 mp -68.68 113.03 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -124.33 142.28 51.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -54.21 -24.55 18.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.19 -26.42 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.613 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 3.2 mmt85 -133.09 -174.31 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 28.3 p -114.07 -165.18 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 26' ' ' VAL . 6.7 mt -78.55 -41.84 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -65.17 -29.17 69.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 49.8 m-20 -69.88 -26.73 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-30 -102.28 4.06 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 70.6 25.37 4.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 62.3 mt -79.65 88.18 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -80.05 -169.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 162.31 24.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.225 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 60.95 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -106.69 166.4 10.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -133.59 112.83 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.8 mm? -93.86 145.74 24.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -99.18 109.24 21.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.647 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 7' ' ' THR . 13.0 tp . . . . . 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.538 0.209 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.431 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -114.61 148.23 38.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.545 HG22 ' H ' ' A' ' 65' ' ' SER . 3.9 pt -148.05 -173.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CZ ' ' OE1' ' A' ' 2' ' ' GLN . 40.3 m-85 -141.6 158.36 43.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.856 ' CG2' HD11 ' A' ' 13' ' ' ILE . 70.0 t -131.19 151.54 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -107.15 -164.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 171.26 172.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 71' ' ' LEU . 34.4 mt -59.63 -15.62 20.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.4 p -95.53 -3.96 45.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.97 76.59 0.16 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 -171.88 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.21 137.0 24.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.891 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.3 pp -125.5 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -84.1 103.5 13.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -102.99 172.0 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.394 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.69 72.36 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.062 HG11 HG13 ' A' ' 26' ' ' VAL . 23.3 m -103.28 -179.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -119.67 152.03 52.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.01 -5.31 16.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -111.41 6.56 20.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 55.4 m-20 -90.84 148.02 22.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.1 t -78.21 145.89 35.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.356 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG13 ' CE2' ' A' ' 59' ' ' TYR . 7.5 mm -38.95 -52.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.83 -66.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -41.21 -59.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.062 HG13 HG11 ' A' ' 17' ' ' VAL . 3.7 t -56.12 -38.63 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 14.1 ttmt -78.74 -2.22 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 25' ' ' ASN . . . -96.16 -44.26 7.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HD3' HG12 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -52.01 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.078 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.524 HG23 ' HG ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -41.57 -64.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 11.9 mm-40 -42.13 -27.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -90.4 -49.9 6.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -43.0 -58.71 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 2.9 pm0 -79.51 -45.41 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.64 49.47 1.03 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -135.67 141.37 36.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.93 140.51 25.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.516 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.5 Cg_endo -75.01 -6.32 17.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.822 ' O ' HD21 ' A' ' 73' ' ' LEU . 3.6 m-20 -72.75 -3.88 27.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.835 ' HA ' HD11 ' A' ' 73' ' ' LEU . 2.3 mp0 -109.27 -28.82 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -143.02 153.68 43.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.01 163.24 25.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 30' ' ' ILE . 4.1 mm? -97.21 151.7 19.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.484 HG13 HG13 ' A' ' 70' ' ' VAL . 3.3 mm -131.53 154.75 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' HB2' HD12 ' A' ' 67' ' ' LEU . 36.1 t80 -162.26 120.72 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 75.95 4.97 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.05 18.21 58.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.579 1.174 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 161.37 17.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -78.49 117.36 19.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.2 mp -82.35 116.95 22.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 3.9 tp10 -125.53 166.53 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -67.83 -6.72 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.93 -68.95 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.1 OUTLIER -118.0 -159.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.337 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 43.0 p -112.56 -179.87 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 26' ' ' VAL . 12.3 mt -57.83 -45.52 86.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 p -55.71 -52.45 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 50.7 m-20 -58.93 -26.36 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.558 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.3 m-30 -94.76 1.42 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.65 12.46 8.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.631 ' CG1' ' CE2' ' A' ' 45' ' ' PHE . 58.6 mt -78.57 85.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -170.06 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' CG ' ' H ' ' A' ' 2' ' ' GLN . 0.1 OUTLIER -62.52 166.24 5.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 43.22 54.91 4.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.545 ' H ' HG22 ' A' ' 3' ' ' ILE . 10.3 p -92.81 -178.83 4.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.046 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.1 m -150.97 108.45 3.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.597 1.185 . . . . 0.0 110.379 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -94.63 154.91 17.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.89 122.88 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD12 ' HB ' ' A' ' 7' ' ' THR . 1.0 OUTLIER -79.76 143.79 34.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG13 HG13 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -96.23 160.98 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -77.62 62.05 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 6.3 mtt180 48.19 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.835 HD11 ' HA ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -59.61 -172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.49 158.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.03 93.94 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' CG ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.471 0.177 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.764 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.7 tt0 -147.1 106.31 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.243 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.714 HG22 ' H ' ' A' ' 65' ' ' SER . 18.0 pt -118.67 -170.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.804 ' HB3' HG23 ' A' ' 12' ' ' THR . 50.0 m-85 -137.73 153.77 49.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 13' ' ' ILE . 59.0 t -130.08 144.38 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.757 ' C ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -102.27 -151.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.757 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.91 170.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.7 -18.17 19.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.0 p -91.01 -16.21 28.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.27 80.32 0.22 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -136.65 -168.79 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.78 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.804 HG23 ' HB3' ' A' ' 4' ' ' PHE . 51.5 m -149.22 127.62 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.876 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.8 pp -126.11 126.57 69.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.764 HG23 ' HG2' ' A' ' 2' ' ' GLN . 2.6 m -79.3 103.37 9.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.364 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.7 HD23 HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -95.38 168.9 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 80.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG11 HG13 ' A' ' 26' ' ' VAL . 6.7 m -113.97 -177.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -125.43 155.95 71.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 p -112.0 7.94 20.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 55' ' ' THR . 96.6 m-20 -91.11 146.35 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 HG23 ' H ' ' A' ' 25' ' ' ASN . 8.8 t -78.9 140.77 38.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.424 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 11.8 mm -39.51 -37.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -55.54 -62.78 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.544 ' H ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -49.96 -48.53 52.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.115 HG21 HD21 ' A' ' 56' ' ' LEU . 3.8 t -59.12 -36.69 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.755 ' HA ' HD11 ' A' ' 30' ' ' ILE . 8.5 ttmt -82.94 -9.2 59.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -92.0 -49.21 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CG1' ' A' ' 17' ' ' VAL . 7.2 mttm -39.47 -59.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -46.71 -55.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.531 HE21 ' N ' ' A' ' 31' ' ' GLN . 4.6 mm-40 -53.76 -19.36 4.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -88.85 -21.02 23.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 30' ' ' ILE . 3.4 mmpt? -85.41 -52.35 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.522 ' HG3' HG23 ' A' ' 36' ' ' ILE . 5.6 pm0 -79.31 -35.44 41.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.01 25.1 32.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -114.21 152.29 45.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.249 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.05 139.84 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.98 -8.73 20.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -17.72 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.933 ' HG2' HD11 ' A' ' 73' ' ' LEU . 3.5 mp0 -101.78 -69.44 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.178 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.503 ' HG3' HD11 ' A' ' 36' ' ' ILE . 10.2 mm-40 -57.49 -176.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.42 114.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.32 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.998 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -79.92 144.35 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.649 ' N ' HD22 ' A' ' 43' ' ' LEU . 2.4 mm -135.86 168.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.865 ' CB ' HD11 ' A' ' 50' ' ' LEU . 38.3 t80 -158.96 126.43 4.91 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 74.69 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.81 64.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -158.61 169.82 23.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -80.3 92.8 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.998 HD12 ' CD2' ' A' ' 43' ' ' LEU . 2.0 mt -67.35 109.72 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.8 tp10 -126.32 166.89 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 54' ' ' ARG . 14.0 m-20 -39.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 34.29 -97.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -112.37 -164.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 30.1 p -93.06 -171.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.115 HD21 HG21 ' A' ' 26' ' ' VAL . 14.2 mt -69.13 -40.69 78.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 p -59.46 -52.07 67.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -55.71 -24.03 32.27 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.4 m-30 -94.89 1.14 55.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.72 21.42 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 54.7 mt -83.22 92.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -79.06 -173.5 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.476 ' HB2' ' CG ' ' A' ' 1' ' ' MET . 14.0 tttt -72.7 161.56 30.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 63' ' ' LYS . 19.8 mm-40 56.7 35.17 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.714 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 p -80.36 165.8 21.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -131.37 101.09 5.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -86.09 160.65 19.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 34.0 m-70 -111.65 123.61 50.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 41' ' ' GLN . 1.5 mt -84.86 -161.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.23 170.24 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -44.07 161.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -105.96 170.54 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.933 HD11 ' HG2' ' A' ' 40' ' ' GLN . 3.3 mm? -58.24 -172.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.46 111.04 1.24 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.388 1.055 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.08 -149.88 6.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.595 1.184 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.425 0.155 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.477 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 -167.28 132.85 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.613 1.196 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 ' H ' ' A' ' 65' ' ' SER . 23.1 pt -137.16 -173.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 56.4 m-85 -135.47 150.92 49.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.898 ' CG2' HD11 ' A' ' 13' ' ' ILE . 87.5 t -121.21 144.53 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -128.41 157.7 40.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.763 ' HB ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -144.45 -172.5 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.413 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -61.25 -11.34 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OG1' ' A' ' 7' ' ' THR . 14.9 t -91.96 -25.1 19.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.24 5.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.533 1.145 . . . . 0.0 111.076 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -110.39 166.0 11.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 0.803 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.68 124.98 29.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.6 pp -120.45 128.82 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -80.26 92.39 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -102.46 169.73 8.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.4 125.67 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.931 HG11 HG13 ' A' ' 26' ' ' VAL . 1.4 m -147.15 153.77 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.49 150.74 47.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -5.31 16.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -108.11 5.9 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HB ' ' A' ' 55' ' ' THR . 91.6 m-20 -90.64 153.43 20.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 26' ' ' VAL . 9.3 t -78.06 167.32 21.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.451 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.626 HG13 ' CE2' ' A' ' 59' ' ' TYR . 2.5 mm -76.74 -4.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.739 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -90.59 -21.48 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.712 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -89.6 -35.93 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.931 HG13 HG11 ' A' ' 17' ' ' VAL . 3.4 t -69.52 -42.91 80.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.19 -6.82 58.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -90.6 -45.58 8.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB3' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -42.71 -45.53 4.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' O ' ' CD ' ' A' ' 34' ' ' GLU . 8.2 pt -59.34 -41.7 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.676 HE21 ' N ' ' A' ' 31' ' ' GLN . 2.6 mm-40 -57.7 -15.57 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.81 -20.47 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -88.87 -52.47 5.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.528 ' HG3' HG23 ' A' ' 36' ' ' ILE . 4.4 pm0 -78.97 -34.51 44.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 27.71 35.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.122 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' CG ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -117.97 153.76 51.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.13 140.74 25.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.583 1.833 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.446 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.0 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.548 1.815 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.52 -27.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.714 ' HB3' HD13 ' A' ' 73' ' ' LEU . 3.6 mp0 -95.4 -68.06 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.339 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.708 ' CG ' HD11 ' A' ' 36' ' ' ILE . 11.6 mm-40 -52.75 158.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -154.13 120.66 5.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD1' HG13 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -85.21 147.96 26.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 67' ' ' LEU . 1.5 mm -125.51 151.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 67' ' ' LEU . 29.2 t80 -149.73 119.43 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.17 21.1 8.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.48 -0.27 81.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -94.31 152.79 18.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -78.91 99.08 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.727 HD11 HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -40.12 -89.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.42 148.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.37 -69.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 40.67 -99.36 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -115.3 -149.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 0.815 . . . . 0.0 110.349 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 20.7 p -106.3 -176.2 3.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.474 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 26' ' ' VAL . 13.8 mt -66.74 -42.44 86.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.9 t -60.71 -41.27 94.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.97 -30.34 67.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.626 ' CE2' HG13 ' A' ' 23' ' ' ILE . 4.4 m-30 -89.94 -4.81 57.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.638 1.212 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.63 18.84 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.727 HD11 HD11 ' A' ' 50' ' ' LEU . 21.7 mt -79.98 91.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -167.9 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.3 mttp -73.98 -177.61 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 37.88 43.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.234 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -92.67 165.58 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -136.27 109.02 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -93.37 147.8 22.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -106.87 115.94 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.879 HD12 ' H ' ' A' ' 70' ' ' VAL . 8.6 tp -86.14 149.12 25.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.879 ' H ' HD12 ' A' ' 69' ' ' LEU . 1.9 m -95.84 -174.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD12 HD23 ' A' ' 8' ' ' LEU . 5.0 mp -48.43 134.9 14.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -70.83 -175.52 1.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.714 HD13 ' HB3' ' A' ' 40' ' ' GLN . 2.0 mp -150.5 -174.76 4.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.67 131.05 34.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.5 134.3 4.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.519 0.2 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 2' ' ' GLN . 8.5 pt20 -78.85 101.17 7.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' A' ' 63' ' ' LYS . 28.2 pt -104.67 -171.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 34.2 m-85 -139.19 155.2 47.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.4 t -129.26 141.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.756 ' C ' HG22 ' A' ' 7' ' ' THR . 0.6 OUTLIER -100.4 -157.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.756 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.36 173.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.773 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -56.39 -18.18 10.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.477 HG22 HG23 ' A' ' 7' ' ' THR . 9.0 t -95.35 2.8 54.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 44.91 76.55 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HB2' HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -130.7 -172.76 2.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.41 126.6 15.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.5 125.8 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.26 124.27 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -122.41 164.92 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.64 70.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.989 HG11 HG13 ' A' ' 26' ' ' VAL . 35.6 m -88.2 -166.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -138.24 153.51 73.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HD3' ' CG ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.98 -16.75 20.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -105.39 9.18 33.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -91.38 148.64 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.2 t -78.78 146.12 33.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.576 1.173 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.888 HD13 ' CD2' ' A' ' 56' ' ' LEU . 30.9 mm -46.01 -27.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -66.42 -63.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' H ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -51.22 -35.03 34.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG11 ' A' ' 17' ' ' VAL . 21.5 t -70.18 -47.74 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 43' ' ' LEU . 2.3 ptpt -78.01 -4.67 48.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -94.48 -42.28 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' HD12 ' A' ' 15' ' ' LEU . 1.3 mttm -46.75 -26.03 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' LYS . 6.3 pt -82.25 -41.3 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.611 HE21 ' N ' ' A' ' 31' ' ' GLN . 4.0 mm-40 -57.98 -25.6 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.53 -29.14 17.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 7.9 mmtm -61.05 -29.85 69.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.209 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.7 OUTLIER -119.93 -69.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.9 39.75 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -121.89 142.97 37.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.494 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.93 140.91 26.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' N ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.95 -19.9 17.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -26.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.9 mp0 -97.88 -64.62 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' PRO . 12.6 mm100 -65.46 141.14 58.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NH2' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -132.98 137.01 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -92.98 149.69 21.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.485 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.1 mm -138.61 151.65 24.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.66 ' HB2' HD12 ' A' ' 67' ' ' LEU . 35.0 t80 -154.39 121.49 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 65.52 22.2 11.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.235 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -5.09 62.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -80.69 150.37 29.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -79.28 98.0 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD22 ' CD2' ' A' ' 59' ' ' TYR . 1.4 mt -66.64 111.27 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tp10 -124.98 152.4 44.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 3.6 p30 -58.1 -19.47 32.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -35.91 -48.81 1.07 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.109 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 14.9 mmt180 -124.0 -173.91 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.3 p -103.99 -165.88 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.888 ' CD2' HD13 ' A' ' 23' ' ' ILE . 8.1 mt -82.88 -39.18 21.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 18.0 p -58.2 -54.62 44.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' CB ' ' HD2' ' A' ' 54' ' ' ARG . 4.5 m-20 -53.94 -24.31 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.648 ' CD2' HD22 ' A' ' 50' ' ' LEU . 9.2 m-30 -98.13 5.06 48.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.62 22.42 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 45' ' ' PHE . 32.0 mt -78.99 88.58 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -79.54 -173.92 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HA ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -74.06 161.41 30.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 1.7 mt-10 64.95 26.23 12.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.71 -177.2 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.8 m -151.05 114.18 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.66 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.4 mm? -99.43 154.93 17.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -103.18 118.07 35.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 2.2 mt -85.94 -162.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 m -145.9 167.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.51 118.49 0.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -59.53 167.32 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' HA ' HD12 ' A' ' 73' ' ' LEU . 4.8 tp -74.77 -151.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 135.47 34.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.03 -125.76 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.514 0.197 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.706 ' CD ' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER -145.02 138.39 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 65' ' ' SER . 21.9 pt -134.7 -171.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.516 ' HB3' HG23 ' A' ' 12' ' ' THR . 62.6 m-85 -135.43 160.29 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.485 ' HB ' ' CG1' ' A' ' 13' ' ' ILE . 58.4 t -133.85 141.69 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.735 ' C ' HG22 ' A' ' 7' ' ' THR . 0.3 OUTLIER -105.2 -159.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.735 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.24 174.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.378 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.986 HD11 ' HA ' ' A' ' 71' ' ' LEU . 63.4 mt -52.27 -19.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.58 ' OG1' HG23 ' A' ' 7' ' ' THR . 71.2 p -84.35 -42.88 15.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.91 50.77 2.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -109.69 170.12 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.8 m -126.98 103.42 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 HD12 ' A' ' 15' ' ' LEU . 1.1 pt -98.39 126.37 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.706 HG23 ' CD ' ' A' ' 2' ' ' GLN . 1.2 m -79.84 117.13 20.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.959 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -123.3 174.83 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -141.04 108.73 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.918 HG11 HG13 ' A' ' 26' ' ' VAL . 33.7 m -136.89 166.76 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.775 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -95.18 163.39 21.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.96 -27.13 10.35 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.033 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.04 15.57 16.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 55' ' ' THR . 77.4 m-20 -90.94 142.11 28.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 25' ' ' ASN . 10.0 t -81.15 156.08 25.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.598 HG22 ' NZ ' ' A' ' 27' ' ' LYS . 4.7 mm -54.04 -43.57 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.706 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -54.34 -36.12 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.503 1.127 . . . . 0.0 110.239 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -70.72 -55.12 9.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.918 HG13 HG11 ' A' ' 17' ' ' VAL . 4.2 t -58.04 -40.64 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.598 ' NZ ' HG22 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.23 -14.84 59.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -84.73 -20.25 31.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -82.0 -12.75 58.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.959 HG23 HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -107.16 -56.61 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 11.7 mm-40 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -90.82 -49.61 6.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.216 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 6.4 mmtt -38.16 -61.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 3.0 pm0 -78.11 -50.27 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.49 52.38 0.44 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -137.65 140.99 31.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -75.05 -24.35 12.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.72 -24.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.501 ' HG3' HD12 ' A' ' 73' ' ' LEU . 2.4 mp0 -86.15 -65.63 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.326 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 7.7 pt20 -107.24 146.64 31.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.87 175.92 6.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mm? -100.59 147.07 26.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.6 mm -126.63 149.56 31.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 61' ' ' ILE . 39.4 t80 -152.34 118.73 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . . . 63.66 26.03 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.42 38.13 58.34 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -127.54 145.26 50.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -79.76 91.23 5.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -56.17 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.74 134.93 34.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.01 -23.25 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.29 42.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' ' CE2' ' A' ' 59' ' ' TYR . 1.4 mmt85 -128.63 162.15 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 70.6 p -112.03 -165.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.803 HD21 HG21 ' A' ' 26' ' ' VAL . 16.9 mt -73.45 -42.06 62.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -66.15 -14.83 62.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 110.028 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 11.7 m-20 -81.49 -39.8 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.629 ' CD2' ' CD1' ' A' ' 50' ' ' LEU . 38.9 m-85 -100.07 6.94 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' TYR . 4.9 m-80 63.35 38.29 10.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.931 ' CD1' HD21 ' A' ' 50' ' ' LEU . 18.7 mt -82.91 88.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -79.31 -163.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 4.4 mtmt -70.78 173.69 6.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . 1.1 mt-10 38.12 48.24 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.676 ' H ' HG22 ' A' ' 3' ' ' ILE . 38.6 p -91.77 150.88 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 91.6 m -126.95 104.19 7.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.678 ' CD2' HD22 ' A' ' 50' ' ' LEU . 1.7 mp -86.24 176.15 8.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -129.33 120.25 25.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -83.25 137.73 33.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 m -87.87 -172.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.986 ' HA ' HD11 ' A' ' 8' ' ' LEU . 4.0 mm? -40.13 153.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -112.58 92.13 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 73' ' ' LEU . 2.9 mt -53.97 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -146.32 170.66 16.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.1 -57.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.472 0.177 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.17 46.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 65' ' ' SER . 12.3 pt -137.48 -171.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.514 ' HB3' HG23 ' A' ' 12' ' ' THR . 61.4 m-85 -146.49 162.78 37.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 HD23 ' A' ' 67' ' ' LEU . 91.5 t -137.77 141.79 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.751 ' C ' HG22 ' A' ' 7' ' ' THR . 10.8 mttt -99.28 -165.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.751 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER 173.15 170.37 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.04 HD11 ' HA ' ' A' ' 71' ' ' LEU . 44.7 mt -54.68 -18.99 5.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 p -83.21 -27.97 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.83 61.75 3.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.94 178.74 5.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.514 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.4 m -131.98 109.77 10.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CG1' ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -99.32 121.59 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.21 118.0 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.11 162.74 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.55 86.66 2.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.2 m -112.0 175.89 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.0 mt-10 -101.3 143.42 26.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.604 1.19 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 57' ' ' SER . 18.4 Cg_endo -74.93 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 m -115.92 8.91 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' OD2' ' CG2' ' A' ' 26' ' ' VAL . 3.8 p-10 -90.98 156.47 17.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' ASN . 9.2 t -80.78 145.35 31.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD13 HD23 ' A' ' 56' ' ' LEU . 7.2 mm -43.46 -34.57 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.43 -42.53 92.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -60.6 -47.29 86.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG2' ' OD2' ' A' ' 21' ' ' ASP . 42.8 t -66.32 -43.97 91.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.174 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -78.94 0.15 28.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -95.29 -36.46 11.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' ASP . 3.6 mttp -64.9 -66.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 HD12 HE21 ' A' ' 31' ' ' GLN . 0.5 OUTLIER -45.28 -56.82 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 15.5 mm-40 -52.83 -23.43 6.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -90.74 -40.83 11.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -60.48 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -79.61 -53.07 7.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.06 33.74 1.22 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -118.09 141.43 29.37 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.6 Cg_endo -74.95 142.56 28.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -74.93 -22.01 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -28.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.481 ' HG2' HD11 ' A' ' 73' ' ' LEU . 3.7 mp0 -91.82 -49.04 6.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.25 -167.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.14 132.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 27' ' ' LYS . 4.3 mm? -81.42 153.22 27.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 48' ' ' LYS . 5.2 mm -141.64 149.14 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 21.7 t80 -166.93 122.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 68.57 8.19 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.79 22.93 29.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 44' ' ' ILE . 1.9 mptt -99.36 160.8 14.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 49' ' ' GLN . 4.7 tt0 -79.46 -5.33 54.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.618 1.199 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.77 HD11 ' CD1' ' A' ' 61' ' ' ILE . 0.1 OUTLIER 38.51 91.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -117.8 152.03 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -50.61 -21.31 1.5 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.407 1.067 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . -33.2 -62.52 0.37 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.589 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -112.62 -177.46 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 29.0 p -102.72 -163.52 1.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 110.467 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' HB3' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.06 -43.36 21.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' PRO . 58.5 p -59.79 -26.02 65.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 55.1 m-20 -75.48 -28.66 59.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 50' ' ' LEU . 16.1 m-30 -104.21 3.49 32.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 73.47 14.79 4.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.77 ' CD1' HD11 ' A' ' 50' ' ' LEU . 49.8 mt -78.93 95.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.34 144.24 12.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.636 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER 73.25 124.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.636 ' C ' ' O ' ' A' ' 63' ' ' LYS . 2.0 mt-10 14.35 65.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.658 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.1 m -86.74 149.49 24.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.142 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.5 m -126.61 115.77 20.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.642 HD13 ' CD1' ' A' ' 45' ' ' PHE . 1.6 mm? -94.08 -177.61 4.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.233 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -136.84 115.02 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 69' ' ' LEU . 1.8 mt -79.41 142.6 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.821 HG23 HD22 ' A' ' 71' ' ' LEU . 4.9 m -92.95 -174.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.284 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.04 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -40.85 160.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.77 -162.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 40' ' ' GLN . 22.9 mt -102.23 177.73 4.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.52 154.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 149.53 -117.82 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.497 0.189 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 7.9 mt-30 -130.87 99.56 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 43.9 pt -102.25 -168.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.89 ' HB3' HG23 ' A' ' 12' ' ' THR . 27.7 m-85 -151.13 151.16 31.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.878 HG12 HG13 ' A' ' 13' ' ' ILE . 13.6 p -116.66 149.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.693 ' C ' HG22 ' A' ' 7' ' ' THR . 4.1 tttt -106.02 -156.18 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.693 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 166.58 175.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 71' ' ' LEU . 72.2 mt -56.21 -16.89 6.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.469 ' CG2' ' HA3' ' A' ' 75' ' ' GLY . 28.3 p -106.84 4.61 27.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' CG ' ' A' ' 6' ' ' LYS . . . 49.61 83.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.142 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.07 -170.2 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.89 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -168.58 92.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.466 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.878 HG13 HG12 ' A' ' 5' ' ' VAL . 1.1 pt -98.54 137.43 26.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 2' ' ' GLN . 20.0 m -80.87 124.88 29.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -118.57 171.12 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.83 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.786 HG12 ' HD2' ' A' ' 29' ' ' LYS . 17.8 m -106.78 174.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -113.23 158.77 37.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 56' ' ' LEU . 18.4 Cg_endo -75.0 -15.14 20.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.394 1.734 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -101.96 9.26 40.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.909 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 55' ' ' THR . 82.4 m-20 -90.41 141.79 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' ILE . 9.7 t -78.53 144.84 35.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG22 ' CE ' ' A' ' 27' ' ' LYS . 6.7 mm -39.24 -37.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -57.19 -65.99 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' H ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -48.96 -46.06 42.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.694 HG13 HG11 ' A' ' 17' ' ' VAL . 36.1 t -60.73 -44.78 97.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' CE ' HG22 ' A' ' 23' ' ' ILE . 2.1 ptpt -78.21 -6.16 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -93.28 -49.89 5.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.786 ' HD2' HG12 ' A' ' 17' ' ' VAL . 18.5 mttm -40.29 -54.73 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' OE1' ' A' ' 34' ' ' GLU . 5.6 pt -48.99 -43.97 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.774 HE21 ' N ' ' A' ' 31' ' ' GLN . 2.1 mm-40 -56.25 -17.13 6.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -90.49 -16.46 28.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -89.18 -53.62 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HB2' HG23 ' A' ' 36' ' ' ILE . 3.0 pm0 -82.65 -44.39 15.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.97 12.3 34.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -96.52 153.98 38.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.11 140.23 24.93 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.98 -6.77 18.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.02 0.65 30.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.548 ' HB3' HD11 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -101.08 -69.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.417 1.073 . . . . 0.0 110.365 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -90.13 160.86 16.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -138.48 149.27 45.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD23 ' HB2' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -98.88 147.74 24.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 48' ' ' LYS . 8.4 mm -125.63 153.74 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 67' ' ' LEU . 37.6 t80 -165.86 122.28 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.38 -39.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.94 -13.75 1.93 Allowed Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.423 1.077 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.7 pttt -78.27 162.81 26.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -81.08 7.14 11.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 54.43 98.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -100.47 135.96 41.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -14.82 44.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.76 -24.74 8.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.58 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 76.9 mmt-85 -129.64 -175.6 3.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.744 . . . . 0.0 110.238 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 77.3 p -120.72 -162.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 23' ' ' ILE . 14.7 mt -79.14 -43.31 24.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -62.23 -16.13 51.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.62 -34.94 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 14.9 m-30 -94.93 -0.47 53.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' LEU . 1.9 m-80 70.09 24.98 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 45' ' ' PHE . 36.8 mt -79.56 84.54 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -78.45 -173.71 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -73.63 153.17 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' HA ' ' CE2' ' A' ' 4' ' ' PHE . 0.7 OUTLIER 72.98 35.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 4' ' ' PHE . 3.0 m -94.68 159.88 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.3 m -127.56 107.44 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.5 mm? -90.77 147.49 23.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 18.8 m-70 -97.07 121.39 38.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 1.9 mt -79.21 -176.42 5.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.53 -172.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.668 HD13 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -89.46 -167.17 1.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.704 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER 87.54 29.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.232 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 178.86 -168.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -162.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 9' ' ' THR . . . -133.42 53.87 0.78 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE3' ' HG3' ' A' ' 19' ' ' PRO . 1.6 mtt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.47 0.176 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.631 ' CG ' HG23 ' A' ' 14' ' ' THR . 1.7 tt0 -145.0 133.35 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 65' ' ' SER . 27.5 pt -131.14 -169.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.86 ' HB3' HG23 ' A' ' 12' ' ' THR . 42.6 m-85 -137.76 150.77 47.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.903 HG12 HG12 ' A' ' 13' ' ' ILE . 10.6 p -126.64 148.71 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.766 ' C ' HG22 ' A' ' 7' ' ' THR . 0.9 OUTLIER -106.27 -159.19 0.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.766 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 170.4 172.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.41 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.877 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -57.92 -17.58 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.47 ' OG1' HG23 ' A' ' 7' ' ' THR . 72.7 p -80.77 -52.11 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.443 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.81 65.95 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' LYS . 8.1 ttmt -140.99 160.46 40.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.86 HG23 ' HB3' ' A' ' 4' ' ' PHE . 0.8 OUTLIER -125.86 117.79 24.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.903 HG12 HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -112.8 141.52 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.631 HG23 ' CG ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -79.04 105.73 10.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.53 167.07 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.45 90.23 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.921 HG11 HG13 ' A' ' 26' ' ' VAL . 7.5 m -132.0 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -117.81 161.54 33.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HG3' ' HE3' ' A' ' 1' ' ' MET . 18.2 Cg_endo -74.96 -19.68 17.72 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -101.64 13.71 34.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 55' ' ' THR . 76.5 m-20 -90.92 144.77 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 26' ' ' VAL . 10.1 t -79.26 153.88 29.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.41 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.553 HG13 ' CE2' ' A' ' 59' ' ' TYR . 12.8 mm -53.47 -56.15 9.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tt0 -42.75 -34.19 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' H ' HG23 ' A' ' 22' ' ' THR . 1.0 OUTLIER -78.18 -58.88 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 56' ' ' LEU . 4.5 t -55.61 -36.86 43.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.1 ttpp -78.22 -8.04 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -93.22 -44.93 8.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HG3' HG12 ' A' ' 17' ' ' VAL . 29.4 mmmt -39.69 -63.26 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.599 HD11 HD21 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -45.27 -54.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 7.1 mm-40 -48.12 -26.79 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.46 -30.1 16.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -60.15 -34.57 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -109.59 -69.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.05 39.21 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -124.63 142.72 41.39 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.447 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -75.0 140.35 25.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.3 Cg_endo -74.98 -22.46 14.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -40.72 -30.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.795 ' HG2' HD23 ' A' ' 73' ' ' LEU . 4.0 mp0 -93.31 -67.88 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -59.25 176.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.6 ' CD ' HG11 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -158.02 149.05 21.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.379 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 HD11 ' A' ' 30' ' ' ILE . 2.3 mm? -94.17 145.27 24.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.466 HG12 ' C ' ' A' ' 43' ' ' LEU . 3.4 mm -139.2 133.43 39.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.779 ' HB2' HD12 ' A' ' 67' ' ' LEU . 44.8 t80 -145.88 117.16 7.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.436 1.085 . . . . 0.0 111.067 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 85.3 -47.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.185 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.48 47.12 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.59 163.55 34.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -79.44 90.51 5.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.613 HD11 ' CB ' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -57.97 103.81 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' C ' ' N ' ' A' ' 53' ' ' GLY . 15.8 tp10 -122.36 167.66 13.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.6 p30 -39.63 -31.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.675 ' C ' ' O ' ' A' ' 52' ' ' ASP . . . 2.15 -82.35 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.077 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' ASP . 15.0 mmm180 -134.6 -150.72 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.345 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 18.4 p -99.02 -171.22 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 26' ' ' VAL . 11.9 mt -72.28 -44.04 63.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 p -62.1 -46.13 90.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -60.05 -23.53 63.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE2' HG13 ' A' ' 23' ' ' ILE . 3.7 m-30 -96.35 -2.58 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 2.6 t-20 76.16 19.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 44.3 mt -79.07 89.09 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -79.37 170.49 16.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 11.0 mtmm -54.71 164.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.521 ' OE1' ' CZ ' ' A' ' 4' ' ' PHE . 9.2 mm-40 49.65 42.95 24.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.331 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.567 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -86.8 164.39 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.092 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -132.72 110.0 10.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.372 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.3 mm? -96.22 147.18 24.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -101.36 121.32 41.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -85.9 -158.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.6 HG11 ' CD ' ' A' ' 42' ' ' ARG . 28.2 m -147.12 169.26 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -43.95 119.97 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -60.5 138.18 58.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.795 HD23 ' HG2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -65.47 -170.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.74 114.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.32 -102.76 2.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HG2' ' CG ' ' A' ' 63' ' ' LYS . 18.4 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.476 0.179 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 14' ' ' THR . 1.4 tt0 -137.72 135.72 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.462 HD12 HD21 ' A' ' 67' ' ' LEU . 41.9 pt -133.51 -177.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.88 ' HB3' HG23 ' A' ' 12' ' ' THR . 40.9 m-85 -134.33 163.54 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.58 HG22 HD23 ' A' ' 67' ' ' LEU . 59.0 t -133.42 137.88 52.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.752 ' C ' HG22 ' A' ' 7' ' ' THR . 11.2 tttt -99.17 -160.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.55 174.64 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.428 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 71' ' ' LEU . 70.9 mt -56.41 -17.35 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.1 p -93.99 1.27 56.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 45.45 66.14 1.66 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.12 -169.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.88 HG23 ' HB3' ' A' ' 4' ' ' PHE . 7.6 m -150.52 120.99 7.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -118.49 127.37 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 2' ' ' GLN . 0.9 OUTLIER -78.71 139.63 38.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.433 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -150.64 169.86 20.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.3 pm0 -128.72 128.44 44.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.874 HG11 HG13 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -152.75 169.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.1 mt-10 -103.87 157.37 34.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -12.41 21.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.25 9.11 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 55' ' ' THR . 90.6 m-20 -90.54 143.54 26.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.882 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.1 t -77.67 165.74 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 24' ' ' GLU . 41.1 mm -61.23 -67.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.822 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.9 tt0 -33.46 -37.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -72.49 -58.32 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.941 HG21 HD21 ' A' ' 56' ' ' LEU . 3.9 t -60.77 -36.2 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -80.58 -6.72 58.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.822 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -91.43 -46.83 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 2.0 mttm -39.99 -58.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -48.32 -52.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.501 ' OE1' ' C ' ' A' ' 37' ' ' PRO . 5.7 mm-40 -53.0 -24.37 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.56 -28.73 17.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.2 -51.43 61.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 1.6 pm0 -88.44 -71.43 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 42.0 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' O ' ' HB3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -128.8 144.11 51.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.375 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 18.1 Cg_endo -75.02 140.37 25.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' HG3' ' A' ' 31' ' ' GLN . 18.2 Cg_endo -75.07 -33.67 4.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -40.91 -28.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 38' ' ' PRO . 2.0 mp0 -80.28 -62.0 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 8.4 pt20 -111.38 141.72 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -113.91 163.91 14.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.238 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 67' ' ' LEU . 1.3 mm? -93.41 155.5 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 68' ' ' HIS . 3.3 mm -132.44 159.12 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HB2' HD12 ' A' ' 67' ' ' LEU . 30.0 t80 -165.95 123.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' PHE . . . 69.09 11.88 8.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.52 33.27 39.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 111.056 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -124.94 159.29 31.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -78.47 103.8 8.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 45' ' ' PHE . 1.1 mp -70.91 110.56 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 6.6 tt0 -120.89 155.91 33.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.57 -23.1 67.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.25 -32.32 1.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.608 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -127.81 175.11 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.227 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 21.3 p -110.39 -169.41 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.436 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.941 HD21 HG21 ' A' ' 26' ' ' VAL . 14.9 mt -72.63 -39.06 67.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 p -61.39 -36.64 80.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -68.83 -31.41 70.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 12.5 m-30 -99.57 7.73 45.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 56.17 28.9 13.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.196 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 61' ' ' ILE . 45.5 mt -79.26 78.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 63' ' ' LYS . 4.5 pt20 -87.9 -158.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 1' ' ' MET . 3.2 mttp -58.43 153.64 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 40.54 69.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -89.74 -66.59 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' SER . 5.9 m 87.59 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.6 mm? -82.75 165.14 20.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 28.3 m-70 -118.07 118.49 32.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -82.11 146.55 29.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 71' ' ' LEU . 4.2 m -99.46 -166.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.814 ' HB3' HD11 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -106.46 -164.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.759 ' HG2' HD12 ' A' ' 71' ' ' LEU . 0.6 OUTLIER 73.52 131.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.267 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD12 ' HD3' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -150.73 -156.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.455 ' HD3' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -40.05 134.41 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.54 105.1 1.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' CB ' ' O ' ' A' ' 17' ' ' VAL . 4.9 mmt . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.563 0.22 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -175.44 151.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.397 1.061 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.464 HG22 ' H ' ' A' ' 65' ' ' SER . 9.1 pt -150.02 -176.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.628 ' HB3' HG23 ' A' ' 12' ' ' THR . 55.5 m-85 -137.09 151.67 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG12 ' CG1' ' A' ' 13' ' ' ILE . 3.5 p -112.55 150.27 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.772 ' C ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -120.07 -156.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.625 1.203 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.772 HG22 ' C ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 169.68 172.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.373 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 71' ' ' LEU . 70.3 mt -59.73 -15.86 23.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -98.25 -37.03 9.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.552 ' H ' HG23 ' A' ' 7' ' ' THR . . . 103.16 105.03 2.93 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.518 1.137 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' CG2' ' A' ' 7' ' ' THR . 0.0 OUTLIER -137.81 -178.78 5.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.628 HG23 ' HB3' ' A' ' 4' ' ' PHE . 1.1 m -173.48 84.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.356 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.653 HD12 HD23 ' A' ' 15' ' ' LEU . 1.2 pp -92.28 139.13 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 m -84.44 91.28 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.474 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -97.95 170.34 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -128.62 115.02 17.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.959 HG11 HG13 ' A' ' 26' ' ' VAL . 16.2 m -147.2 172.23 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.6 1.187 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 56' ' ' LEU . 2.7 mt-10 -106.43 159.94 28.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -25.53 11.76 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.033 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 p -91.43 6.83 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 55' ' ' THR . 97.2 m-20 -86.69 149.06 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -79.46 163.34 24.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.584 HD13 HD23 ' A' ' 56' ' ' LEU . 40.0 mm -61.94 -49.77 82.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.758 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.9 mt-10 -54.08 -36.35 63.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.432 ' C ' ' ND2' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -67.31 -52.6 38.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.959 HG13 HG11 ' A' ' 17' ' ' VAL . 21.9 t -62.15 -40.11 86.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' HA ' HD11 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -78.66 -16.04 57.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 24' ' ' GLU . . . -75.6 -37.03 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -63.38 -53.39 53.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.647 HD11 ' HA ' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -59.8 -64.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.579 HE21 HD12 ' A' ' 30' ' ' ILE . 8.0 mm-40 -40.16 -28.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ILE . 4.3 m-20 -90.05 -45.06 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' ILE . 27.0 mmtt -42.98 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.523 ' HG3' ' CG2' ' A' ' 36' ' ' ILE . 3.4 pm0 -81.73 -42.58 19.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.1 55.16 0.78 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' CG2' ' HG3' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -141.36 141.75 24.28 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 18.2 Cg_endo -75.03 140.0 24.86 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.534 ' CB ' ' CD ' ' A' ' 27' ' ' LYS . 18.3 Cg_endo -74.96 -23.44 13.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.48 -28.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 40' ' ' GLN . 3.5 mp0 -98.1 -36.31 10.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' PRO . 17.2 mm-40 -85.4 -179.54 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.357 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.31 119.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.668 ' H ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -87.71 161.71 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 48' ' ' LYS . 2.3 mm -134.28 159.54 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.684 ' CD2' ' CG1' ' A' ' 61' ' ' ILE . 23.1 t80 -162.1 124.47 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 34.44 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.18 26.89 56.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -115.75 150.74 36.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 0.741 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -77.68 106.85 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' CD2' HD23 ' A' ' 43' ' ' LEU . 1.5 mp -68.68 113.03 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -124.33 142.28 51.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -54.21 -24.55 18.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -42.19 -26.42 0.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.565 1.166 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.613 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 3.2 mmt85 -133.09 -174.31 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 21' ' ' ASP . 28.3 p -114.07 -165.18 0.98 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 110.44 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 26' ' ' VAL . 6.7 mt -78.55 -41.84 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -65.17 -29.17 69.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' CB ' ' HB3' ' A' ' 54' ' ' ARG . 49.8 m-20 -69.88 -26.73 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 54' ' ' ARG . 15.9 m-30 -102.28 4.06 38.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 70.6 25.37 4.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG1' ' CD2' ' A' ' 45' ' ' PHE . 62.3 mt -79.65 88.18 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -80.05 -169.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -68.07 162.31 24.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.225 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 45.27 60.95 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -106.69 166.4 10.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.3 m -133.59 112.83 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 45' ' ' PHE . 1.8 mm? -93.86 145.74 24.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -99.18 109.24 21.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.647 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD12 ' H ' ' A' ' 70' ' ' VAL . 13.0 tp -80.07 150.33 30.35 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.87 ' H ' HD12 ' A' ' 69' ' ' LEU . 1.9 m -89.65 -158.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' N ' HG23 ' A' ' 70' ' ' VAL . 2.9 mm? -38.5 126.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ttp85 -79.8 163.29 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.2 mp -135.14 -174.43 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.19 138.24 20.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.03 97.63 0.11 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.974 . . . . . . . . 0 0 . 1 stop_ save_