data_1spk_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 1spk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -118.37 143.64 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 35' ' ' LEU . 27.6 m -129.46 154.73 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.4 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -79.38 127.93 32.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 41.5 pt -97.45 -11.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 23.4 m-85 -143.67 148.24 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -52.0 125.93 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 -34.7 5.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -47.48 150.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.05 134.04 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 137.78 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 94.5 m -91.06 123.45 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -71.76 150.16 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 55' ' ' ARG . 50.5 mt -118.68 -47.92 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 49.6 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -128.92 150.27 50.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.5 t80 -106.6 159.59 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -179.53 -174.9 45.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 40.9 tt0 -117.38 139.53 50.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.431 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 19.4 t-80 -81.2 135.64 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.96 45.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 13.7 m -156.68 -72.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -67.45 -23.69 65.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt 78.5 -0.7 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.25 153.83 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -111.62 137.59 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.9 -170.65 12.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.1 m95 -111.62 135.04 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.41 151.59 58.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.96 122.4 7.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' THR . 53.5 p -49.47 -23.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.26 69.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.7 m-85 -85.89 11.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.0 p -144.78 152.2 39.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.36 154.79 49.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -118.19 143.72 46.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.26 154.59 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 137.08 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 33' ' ' LEU . 49.4 p -80.57 132.11 35.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.577 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 39.1 pt -102.33 -7.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.4 m-85 -148.11 148.48 29.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -44.69 136.52 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.7 -37.4 3.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -47.8 148.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.2 133.9 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD12 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.08 138.31 54.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 55.5 m -90.44 123.45 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 145.21 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -115.53 -45.48 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 46.7 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.95 150.16 50.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.3 t80 -106.66 160.01 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.39 -175.11 45.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 33.1 tt0 -114.3 139.69 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.542 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.0 t-80 -82.91 135.71 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -87.82 45.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 68.0 m -153.79 -76.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -68.56 -19.33 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt 75.66 3.24 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.23 -167.79 11.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 88.7 m95 -111.57 134.86 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 151.78 58.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.99 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' THR . 95.8 p -49.53 -23.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -70.8 -31.88 68.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -84.71 8.15 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 60' ' ' SER . 28.9 p -141.75 152.49 43.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 6.5 ptmm? -132.55 155.11 49.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.28 143.58 46.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m -129.25 154.79 40.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.12 131.81 54.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 33' ' ' LEU . 68.2 p -78.37 128.59 33.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 38.6 pt -99.74 -7.26 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.3 m-85 -145.26 147.01 32.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 49.5 tt0 -53.64 120.15 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.67 -30.53 5.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.41 154.02 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -114.84 134.3 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.5 OUTLIER -121.76 140.83 51.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 35.1 m -94.09 123.48 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.19 145.89 47.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 46' ' ' TYR . 65.6 mt -114.98 -49.16 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.8 pt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.6 m95 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.95 150.3 52.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CE2' HD11 ' A' ' 36' ' ' LEU . 25.9 t80 -106.66 153.2 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -172.19 -175.48 40.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 19.9 tt0 -115.85 137.67 51.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 27.5 t-80 -75.24 143.08 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 51' ' ' THR . 2.8 t70 -90.16 41.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 35.9 m -159.19 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 p -49.56 -24.95 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.65 0.37 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.39 160.87 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.44 -169.04 12.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -111.81 135.06 52.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.35 151.75 58.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 121.59 6.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 87.6 p -49.4 -23.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -32.22 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.2 m-85 -85.5 11.62 10.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' SER . 22.0 p -145.14 152.42 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG2' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.64 159.13 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -118.57 143.36 46.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 35' ' ' LEU . 15.6 m -129.71 154.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -124.37 131.83 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -75.78 130.24 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 15.5 pt -97.2 -12.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 16.6 m-85 -145.44 147.67 34.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.38 131.88 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 104.32 -32.45 7.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -46.27 151.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.57 133.79 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.21 140.98 51.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 71.7 m -92.24 123.79 35.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' CD1' HG11 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -73.15 148.29 44.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.18 -40.08 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -129.18 150.54 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -106.32 162.65 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 175.21 -172.8 45.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' THR . 73.4 tt0 -118.57 143.79 46.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.5 t-80 -83.44 138.47 33.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.72 43.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 43.2 m -156.6 -66.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.2 p -71.15 -24.96 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt 78.41 -0.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 162.54 13.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.8 136.96 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.02 -170.68 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.8 134.54 53.3 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -142.93 151.62 56.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.04 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 63.4 p -49.6 -23.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -30.82 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.509 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.0 m-85 -87.46 11.69 14.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' SER . 17.6 p -145.09 152.63 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -130.23 151.6 50.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -117.88 143.75 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.51 155.11 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.87 131.79 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 p -76.12 127.95 33.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 42.4 pt -96.03 -8.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.0 m-85 -146.4 147.53 31.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.45 122.38 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.77 -31.05 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.93 153.79 3.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.14 134.23 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.86 138.12 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 51.9 m -93.97 123.59 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.91 151.11 46.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -122.56 -44.52 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 33.7 m95 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -125.16 150.27 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.6 t80 -106.65 158.78 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.29 -172.99 43.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 47.7 tt0 -117.54 141.47 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.1 t-80 -82.39 135.71 35.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 13.1 t0 -88.05 45.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 86.3 m -157.87 -69.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -68.1 -24.05 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 78.49 -0.88 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 161.21 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -118.9 137.03 53.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.21 -169.64 12.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 94.7 m95 -111.71 134.96 52.92 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -142.53 151.69 58.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.1 p -49.21 -23.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -32.16 69.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -84.83 11.11 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -144.04 152.62 41.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 2.4 mttt -131.35 157.02 44.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -118.44 143.55 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -129.34 154.77 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.13 131.93 53.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 33' ' ' LEU . 77.5 p -78.18 129.53 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.4 pt -99.73 -7.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.1 m-85 -145.61 146.49 29.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -48.48 126.68 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.29 -33.75 5.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -48.16 151.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.88 133.64 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.46 142.01 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 85.6 m -94.2 123.69 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 150.02 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -120.35 -46.6 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.2 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 34.2 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -135.86 150.14 49.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 14.3 t80 -106.76 168.16 9.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 172.31 -176.57 45.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' THR . 55.6 tt0 -115.17 139.04 50.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.7 t-80 -76.12 144.64 40.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.553 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 17.3 t0 -90.63 44.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 8.6 m -161.15 -79.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -55.51 -25.29 36.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.69 1.75 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.06 159.83 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 136.94 52.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.25 -169.29 12.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -111.74 134.64 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 21.9 p90 -142.77 151.7 57.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 122.55 7.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' THR . 78.7 p -49.62 -23.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -31.27 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -85.68 10.91 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 60' ' ' SER . 30.0 p -145.06 152.53 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -132.63 160.2 37.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -118.1 143.69 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 35' ' ' LEU . 3.7 m -129.1 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.91 131.79 54.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -75.08 128.95 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.8 pt -97.95 -11.54 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.7 m-85 -144.67 149.2 42.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -54.22 136.47 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.94 -36.1 4.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -45.62 152.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.724 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.82 133.91 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.16 139.69 53.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' GLU . 77.7 m -94.14 123.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -67.47 148.6 51.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -117.08 -42.59 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 36.5 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -121.46 150.03 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -106.83 146.66 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -167.43 179.71 40.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' THR . 28.2 tt0 -108.39 149.33 28.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.2 t-80 -89.49 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 21.9 t0 -88.25 44.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 23.1 m -153.51 -78.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -65.48 -20.32 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.07 1.36 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.05 157.93 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.58 136.39 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.76 -166.33 11.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -111.94 135.02 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.31 151.66 58.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.1 Cg_endo -75.06 121.0 6.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 63' ' ' THR . 86.8 p -49.74 -23.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -31.06 68.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.8 m-30 -86.18 11.16 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' SER . 2.9 p -145.12 152.74 40.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.06 157.62 43.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -118.45 143.53 46.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 35' ' ' LEU . 14.5 m -129.45 154.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.59 131.87 54.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -76.99 128.61 34.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 43.5 pt -99.01 -10.2 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.2 m-85 -145.63 149.04 38.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -48.44 131.31 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.59 -34.67 5.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -50.5 151.82 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.9 t -113.67 134.28 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.87 142.66 50.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.436 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 95.8 m -94.26 123.63 37.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.71 146.88 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' HD3' ' A' ' 55' ' ' ARG . 55.4 mt -114.66 -49.49 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 47.8 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -135.99 150.62 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 9.5 t80 -106.5 156.52 18.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.8 -175.37 44.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 45.6 tt0 -117.87 136.28 53.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 9.4 t-80 -76.12 141.21 42.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 3.9 t70 -93.01 46.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 28.3 m -159.18 -69.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.3 p -68.41 -24.18 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.48 -0.7 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.26 160.89 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -117.97 137.37 52.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.97 -170.33 12.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.6 m95 -111.65 134.89 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 36.0 p90 -142.45 151.77 58.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.2 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.3 p -49.22 -23.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -31.96 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.7 m-30 -85.51 9.99 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 21.5 p -143.07 152.45 41.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -132.38 157.39 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.45 143.43 46.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.434 ' CG1' HD12 ' A' ' 35' ' ' LEU . 13.7 m -129.56 154.82 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 132.58 54.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 33' ' ' LEU . 62.3 p -75.46 139.34 42.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 14' ' ' PHE . 21.3 pt -107.59 -13.41 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' HG13 ' A' ' 13' ' ' ILE . 33.6 m-85 -145.87 149.04 38.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -42.5 136.26 2.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.59 -35.05 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -49.99 149.96 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 133.96 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.13 142.11 50.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 25.9 m -94.19 123.65 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' CG1' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -72.34 144.75 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.01 -50.54 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 pt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 23.6 m95 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -126.02 149.96 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 t80 -106.93 163.4 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 176.17 -178.4 47.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 49.6 tt0 -109.23 147.11 33.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 5.7 t-80 -89.66 136.52 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 8.8 t0 -88.4 45.37 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 21.3 m -153.81 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.3 p -74.74 -19.64 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt 75.31 2.11 3.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.17 150.44 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -110.81 136.77 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.53 -163.85 10.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -111.85 134.86 53.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 20.8 p90 -142.52 151.45 57.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -74.98 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 13.5 t -49.46 -22.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -32.02 69.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -81.5 -6.37 58.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.6 p -124.45 154.29 40.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -132.16 160.78 35.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -118.33 143.84 46.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 35' ' ' LEU . 3.6 m -128.95 154.75 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.95 131.9 54.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 33' ' ' LEU . 71.1 p -76.69 128.02 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 32.6 pt -97.27 -9.49 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.8 m-85 -145.66 148.0 35.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.65 126.13 25.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.84 -35.5 4.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -50.1 152.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.75 134.59 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.48 141.29 51.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 18.1 m -94.16 123.77 37.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 10' ' ' VAL . 1.3 mp -71.08 149.7 46.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.4 -47.87 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 37.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -132.57 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 57' ' ' TRP . 6.2 t80 -106.64 156.68 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -177.96 -179.85 48.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 24.3 tt0 -110.5 144.96 38.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 38.3 t-80 -83.36 141.02 32.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 4.0 t70 -88.82 43.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 94.5 m -157.52 -84.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -53.7 -22.73 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 1.6 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.2 155.25 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.87 136.85 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.15 -170.61 12.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 91.9 m95 -111.56 135.01 52.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -142.37 151.45 58.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 123.07 7.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.7 p -51.13 -24.62 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -25.98 63.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -91.97 10.8 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 p -145.07 152.62 40.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CE ' HD11 ' A' ' 13' ' ' ILE . 5.8 mttt -132.11 156.23 46.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -118.12 143.51 46.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 35' ' ' LEU . 18.9 m -129.3 154.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.71 133.63 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.427 ' CG2' HD13 ' A' ' 33' ' ' LEU . 58.3 p -72.99 138.83 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.446 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' CD ' ' A' ' 64' ' ' LYS . 4.2 pt -103.34 -4.79 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -155.08 154.64 29.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -48.31 129.07 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.94 -30.68 8.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.6 153.05 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.62 134.6 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.4 143.98 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 55.5 m -94.24 123.91 37.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' CD1' HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -75.53 143.54 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.81 -35.73 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.3 pt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.5 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -138.53 150.35 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.6 162.84 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 170.72 -175.44 44.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' THR . 49.0 tt0 -119.69 145.32 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.625 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.7 t-80 -79.67 146.55 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.572 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 2.4 t70 -89.68 43.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.625 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 1.1 m -162.9 -77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -53.91 -26.81 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 1.5 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 161.57 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -115.93 137.32 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.92 -171.88 12.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -111.69 134.38 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -142.96 151.7 56.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 p -49.3 -23.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -31.25 68.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -85.56 11.24 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.8 p -145.18 153.32 41.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 8.1 ptmm? -131.64 152.51 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -118.38 143.46 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.59 154.77 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.98 131.94 55.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.0 p -75.12 128.66 36.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 pt -97.32 -3.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -154.65 153.75 28.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.996 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -50.02 125.83 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.06 -31.89 6.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.13 152.34 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -112.62 133.89 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.14 140.78 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.1 m -94.13 123.29 37.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.36 144.33 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 mt -112.36 -45.87 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 54.1 m95 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -134.89 150.34 50.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.4 t80 -106.45 158.43 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.04 -172.99 41.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 42.5 tt0 -119.91 143.02 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.497 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 36.0 t-80 -85.15 134.61 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -87.93 46.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 24.3 m -156.97 -67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -72.03 -24.12 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.53 -0.42 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.77 159.17 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.77 137.0 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.22 -167.82 11.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 86.3 m95 -111.72 134.89 52.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -142.39 151.62 58.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 121.71 6.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 50.6 p -49.38 -23.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.18 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.5 m-85 -84.46 11.0 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.3 p -145.01 152.21 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -132.55 158.76 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -118.0 143.7 46.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.401 ' CG1' HD11 ' A' ' 35' ' ' LEU . 11.1 m -129.5 154.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' NZ ' ' HA2' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -122.99 132.29 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 33' ' ' LEU . 60.3 p -76.32 132.03 39.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 21.7 pt -97.75 -10.29 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 21.4 m-85 -142.6 147.66 43.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -70.29 116.16 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 117.02 -31.23 5.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.89 150.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.23 133.78 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.4 OUTLIER -122.24 144.72 48.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.1 m -94.06 123.59 37.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.02 144.57 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.34 -43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 9.6 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.95 149.98 28.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 18.2 t80 -106.85 163.86 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 178.34 -174.24 46.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 34.6 tt0 -115.43 152.74 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.529 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 46.6 t-80 -92.98 137.64 32.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 6.4 t70 -87.74 45.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 17.3 m -157.33 -72.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 p -66.39 -23.49 66.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.67 1.69 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.15 160.74 14.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -117.79 137.14 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.04 -170.88 12.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 75.1 m95 -111.5 134.64 52.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.9 151.8 57.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.93 124.87 8.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' THR . 91.7 p -49.87 -24.7 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -30.42 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.3 m-85 -84.76 9.74 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.6 p -145.16 152.88 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -131.07 151.44 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -118.1 143.34 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 35' ' ' LEU . 22.4 m -129.59 154.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 132.14 54.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.42 ' CG2' HD12 ' A' ' 33' ' ' LEU . 63.0 p -74.64 133.77 42.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 18.3 pt -99.13 -9.38 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 36.1 m-85 -147.7 151.44 39.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.71 133.48 25.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.14 -30.19 10.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -51.0 151.86 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.95 134.19 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 12' ' ' THR . 0.5 OUTLIER -121.98 139.36 53.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 43.8 m -93.92 123.65 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -72.34 149.53 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.4 mt -120.68 -49.11 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.7 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.95 150.21 48.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -106.62 160.81 15.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 179.23 -174.88 46.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' THR . 58.3 tt0 -115.8 139.71 49.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.545 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.7 t-80 -82.92 135.32 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.04 45.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.545 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 62.5 m -153.4 -75.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -71.14 -18.95 62.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt 74.5 3.72 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.28 149.33 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 136.83 47.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.55 -168.19 11.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.163 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -111.81 134.69 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -142.72 151.51 57.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 121.76 6.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 52.0 p -49.64 -24.07 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.2 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.4 m-85 -83.55 9.74 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 24.0 p -145.05 152.9 40.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 3.3 mtpt -129.8 153.26 48.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -117.11 143.86 45.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG11 ' CD2' ' A' ' 65' ' ' LEU . 2.7 m -128.98 154.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.44 130.48 52.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.2 p -76.39 127.34 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 26.5 pt -95.04 -9.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.9 m-85 -144.95 149.53 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -71.59 114.68 9.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.08 -27.93 5.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.27 152.59 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.81 134.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.9 143.5 49.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.4 m -94.62 124.05 38.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.55 144.92 52.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -40.37 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 pt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mt -134.5 149.79 50.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -107.06 155.94 19.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.7 179.18 48.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' THR . 65.1 tt0 -107.23 150.62 26.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.585 ' HD1' ' N ' ' A' ' 50' ' ' ASP . 8.0 t-80 -89.97 143.35 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.591 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.585 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 5.4 t70 -87.5 45.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.566 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 3.6 m -159.64 -93.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -24.27 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.85 6.01 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 151.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 136.72 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.62 -165.75 11.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.573 1.17 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -111.85 134.4 53.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.91 153.19 60.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.04 119.03 5.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 63' ' ' THR . 38.4 p -49.38 -23.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -30.02 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 3.6 m-85 -84.73 7.9 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.0 p -142.76 151.42 41.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -133.76 156.01 48.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.485 ' CD2' HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -118.22 143.31 46.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 35' ' ' LEU . 21.1 m -129.65 154.53 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 139.85 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 33' ' ' LEU . 43.1 p -82.88 128.79 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 19.4 pt -96.0 -7.56 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.6 m-85 -148.0 151.25 37.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -46.02 134.29 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.34 10.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 151.07 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -116.44 134.1 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.98 138.13 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 88.6 m -89.04 123.49 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 1.2 mp -71.55 148.52 46.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mt -145.52 43.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' CD1' ' CB ' ' A' ' 60' ' ' SER . 1.9 mt -141.56 148.08 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 32.1 t80 -109.11 171.72 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 160.03 179.39 34.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.23 151.7 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.8 t-80 -90.39 139.87 30.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 20.7 t0 -85.49 47.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 18.5 m -158.42 -76.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 p -69.35 -17.68 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt 72.16 6.0 5.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.32 153.23 17.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -109.86 136.75 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.71 -170.44 12.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 60.4 m95 -111.67 134.7 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -142.64 151.87 58.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' THR . 58.5 p -50.86 -24.45 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -26.56 63.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -90.91 10.18 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' SER . 39.0 p -145.11 152.66 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 150.8 52.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -118.03 144.08 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.475 HG13 ' CD2' ' A' ' 65' ' ' LEU . 23.7 m -127.11 154.67 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.62 131.71 53.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 p -78.85 127.95 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.513 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 31.5 pt -100.64 -3.5 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.3 m-85 -144.75 148.5 39.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.54 118.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.86 -37.04 3.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -49.65 153.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.05 134.27 61.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.92 142.38 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.5 m -94.28 123.72 37.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -70.27 148.88 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.19 -44.42 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 39.0 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.1 150.51 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 t80 -106.51 159.87 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.11 -172.43 42.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 27.5 tt0 -123.76 141.63 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.442 ' HD1' ' N ' ' A' ' 51' ' ' THR . 49.6 t-80 -81.76 139.81 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.29 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.442 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 15.6 m -154.01 -71.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 p -67.59 -20.94 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 72.94 4.84 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.34 167.2 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -123.95 136.39 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.96 -173.89 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 90.9 m95 -111.83 133.88 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 6.4 p90 -143.34 155.15 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.92 125.39 9.34 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.8 p -51.24 -24.26 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -27.37 63.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.2 m-85 -88.27 9.32 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' SER . 26.5 p -145.27 152.01 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -133.26 150.47 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -116.99 143.89 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 35' ' ' LEU . 31.1 m -128.3 154.7 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.05 131.49 53.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 p -74.79 134.21 41.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 pt -104.8 -5.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 29.8 m-85 -148.27 150.1 33.77 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 110.969 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -48.68 122.92 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.59 -35.42 4.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -47.94 152.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -117.13 133.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 142.72 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.8 m -93.61 123.19 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' CD1' ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.68 140.42 53.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.63 -27.46 8.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.7 pt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 18.7 m95 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 4.0 mm? -121.25 149.96 42.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -106.88 138.73 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -156.39 -176.3 28.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' THR . 21.5 tt0 -114.24 135.91 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 16.4 t-80 -78.28 137.54 38.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -98.81 50.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.59 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -155.78 -44.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.84 -18.68 13.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 79.44 -2.84 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.36 147.55 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.84 136.53 52.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.76 -167.1 11.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.74 135.21 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 4.8 p90 -142.45 151.55 58.03 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.05 121.31 6.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.412 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.54 -23.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.75 67.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -86.95 11.21 14.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.8 p -145.3 151.57 38.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -133.45 154.23 50.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -118.07 143.47 46.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.52 154.75 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.45 131.96 55.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.1 p -75.29 133.86 41.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CG2' ' HG3' ' A' ' 64' ' ' LYS . 16.7 pt -101.93 -11.23 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 13' ' ' ILE . 31.7 m-85 -144.9 149.6 43.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.7 tt0 -38.36 118.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.7 -37.37 3.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -48.36 154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -116.96 133.9 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.25 143.35 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.0 m -93.76 122.85 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.5 mt -77.84 145.68 36.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.65 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mt -132.03 150.36 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CD1' ' CE2' ' A' ' 57' ' ' TRP . 7.6 t80 -106.71 147.32 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.06 177.76 46.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' THR . 30.2 tt0 -108.23 159.05 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 34.4 t-80 -98.08 149.61 22.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 8.4 t70 -96.39 46.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 6.9 m -161.68 -72.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 16.4 p -67.72 -27.33 66.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 52' ' ' THR . 5.6 mmmt 80.2 -3.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.19 164.57 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -129.83 136.09 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.8 -169.5 11.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.475 ' CE2' ' CD1' ' A' ' 46' ' ' TYR . 87.3 m95 -111.9 133.9 53.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -143.33 154.81 61.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 22.8 p -49.82 -23.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -31.0 67.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -84.45 9.42 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 25.0 p -145.01 156.25 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 7.3 mtpt -131.86 154.09 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -118.22 143.34 46.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 35' ' ' LEU . 5.0 m -129.6 154.13 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 131.82 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -74.89 133.61 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.572 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.9 pt -101.46 -6.91 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.2 m-85 -144.5 147.52 36.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -42.45 121.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.13 -32.36 6.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 49' ' ' HIS . 21.7 m-20 -53.22 153.12 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -114.79 133.85 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.4 141.95 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 52.9 m -94.46 123.51 37.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.37 146.54 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.5 mt -113.53 -48.78 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 42.0 m95 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.14 149.4 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 21.7 t80 -107.43 140.07 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.44 -176.05 31.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.3 tt0 -121.21 142.85 49.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 21.5 t-80 -83.95 145.84 28.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 25.0 t0 -92.87 46.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 16.2 m -155.99 -75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.3 p -68.31 -22.34 64.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 72.38 9.98 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.07 148.36 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.33 135.06 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.08 -168.53 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 89.6 m95 -112.22 132.99 54.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -144.1 154.28 57.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.05 125.88 9.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' THR . 9.5 p -51.79 -21.33 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -31.34 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.3 m-30 -82.62 8.41 11.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 60' ' ' SER . 36.2 p -144.41 153.59 42.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 157.33 44.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -135.35 127.07 29.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -138.87 89.41 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.32 -150.52 51.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.24 114.38 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.15 159.96 7.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.25 52.48 4.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -45.22 169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -118.37 143.64 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 35' ' ' LEU . 27.6 m -129.46 154.73 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.4 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -79.38 127.93 32.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 41.5 pt -97.45 -11.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 23.4 m-85 -143.67 148.24 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.28 39.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -166.25 99.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 m -89.22 155.55 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -64.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 85.15 72.82 1.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.6 t-20 80.5 -55.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -42.27 132.55 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 23.82 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.3 p -112.94 -15.9 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.22 147.6 37.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.67 131.18 37.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 p -97.87 122.31 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 16.5 p90 -157.0 177.18 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.93 152.18 35.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -52.0 125.93 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 -34.7 5.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -47.48 150.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.05 134.04 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 137.78 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 94.5 m -91.06 123.45 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -71.76 150.16 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 55' ' ' ARG . 50.5 mt -118.68 -47.92 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 pt -100.41 137.61 19.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.44 176.83 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.73 143.89 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -78.63 64.72 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 59.62 58.36 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.32 -44.94 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 49.6 m95 -71.69 150.22 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -128.92 150.27 50.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.5 t80 -106.6 159.59 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -179.53 -174.9 45.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 40.9 tt0 -117.38 139.53 50.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 19.4 t-80 -81.2 135.64 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.96 45.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 13.7 m -156.68 -72.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -67.45 -23.69 65.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt 78.5 -0.7 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.25 153.83 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -111.62 137.59 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.9 -170.65 12.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 96.1 m95 -111.62 135.04 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.41 151.59 58.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.96 122.4 7.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' THR . 53.5 p -49.47 -23.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.26 69.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.7 m-85 -85.89 11.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.0 p -144.78 152.2 39.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.36 154.79 49.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.61 134.61 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.44 -178.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -128.32 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.33 158.08 17.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -173.84 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -151.48 73.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.8 p -87.33 137.61 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -149.83 115.08 5.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -55.01 158.07 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.76 149.72 5.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.585 1.178 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.04 101.04 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -151.51 99.69 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.051 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 47.56 29.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -52.67 170.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -118.19 143.72 46.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.6 m -129.26 154.59 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 137.08 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.451 ' CG2' HD12 ' A' ' 33' ' ' LEU . 49.4 p -80.57 132.11 35.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.577 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 39.1 pt -102.33 -7.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.4 m-85 -148.11 148.48 29.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.13 40.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -151.74 134.13 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 m -122.39 141.76 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.92 -61.21 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.7 -107.34 2.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.31 -50.0 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.6 160.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.37 53.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.01 -46.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.3 mt -44.07 113.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD2' HD23 ' A' ' 33' ' ' LEU . 12.8 tp -60.54 123.26 16.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -91.01 125.6 35.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.94 -175.8 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.03 144.35 49.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -44.69 136.52 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.7 -37.4 3.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -47.8 148.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.2 133.9 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.08 138.31 54.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 55.5 m -90.44 123.45 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.09 145.21 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -115.53 -45.48 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 pt -103.11 136.45 19.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.51 20.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -94.43 173.47 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -127.52 142.29 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 7.0 tttt -77.78 63.11 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 60.06 58.41 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 101.95 -45.8 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 46.7 m95 -71.66 147.21 47.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.95 150.16 50.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.3 t80 -106.66 160.01 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.39 -175.11 45.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 33.1 tt0 -114.3 139.69 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.542 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.0 t-80 -82.91 135.71 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -87.82 45.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.542 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 68.0 m -153.79 -76.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -68.56 -19.33 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt 75.66 3.24 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.23 -167.79 11.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.474 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 88.7 m95 -111.57 134.86 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 151.78 58.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.99 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' THR . 95.8 p -49.53 -23.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -70.8 -31.88 68.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -84.71 8.15 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 60' ' ' SER . 28.9 p -141.75 152.49 43.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 6.5 ptmm? -132.55 155.11 49.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.39 132.91 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 67' ' ' SER . 4.4 mt -62.1 -168.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 66' ' ' LEU . 2.6 p 54.24 64.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.76 -146.03 10.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.95 39.53 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 69.14 124.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.6 p -136.46 103.8 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.85 146.29 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 115.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.98 -151.26 17.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.46 146.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -104.71 130.85 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.83 51.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.69 169.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.28 143.58 46.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m -129.25 154.79 40.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.12 131.81 54.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 33' ' ' LEU . 68.2 p -78.37 128.59 33.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.569 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 38.6 pt -99.74 -7.26 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.3 m-85 -145.26 147.01 32.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.93 36.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -165.32 96.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.592 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -85.81 137.62 32.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.6 -48.58 39.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.13 81.83 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.99 -60.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -40.89 139.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.18 -24.54 14.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -69.47 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.88 161.78 26.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 tp -106.65 160.36 15.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -122.03 119.81 32.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.7 p90 -155.74 174.34 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.38 152.47 33.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 49.5 tt0 -53.64 120.15 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.67 -30.53 5.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.41 154.02 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -114.84 134.3 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.5 OUTLIER -121.76 140.83 51.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 35.1 m -94.09 123.48 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.19 145.89 47.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 46' ' ' TYR . 65.6 mt -114.98 -49.16 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.8 pt -101.41 135.82 19.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -12.2 21.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.87 170.5 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.27 140.79 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' TRP . 23.6 tptt -80.46 69.0 6.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 59.91 50.65 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.59 -47.07 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 18.6 m95 -67.85 151.34 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.95 150.3 52.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CE2' HD11 ' A' ' 36' ' ' LEU . 25.9 t80 -106.66 153.2 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -172.19 -175.48 40.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 19.9 tt0 -115.85 137.67 51.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.556 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 27.5 t-80 -75.24 143.08 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 51' ' ' THR . 2.8 t70 -90.16 41.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 35.9 m -159.19 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 p -49.56 -24.95 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.65 0.37 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.39 160.87 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.44 -169.04 12.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -111.81 135.06 52.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.35 151.75 58.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 121.59 6.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 87.6 p -49.4 -23.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -32.22 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.2 m-85 -85.5 11.62 10.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' SER . 22.0 p -145.14 152.42 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG2' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.64 159.13 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.76 132.63 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.11 178.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -162.83 95.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.01 -145.73 19.41 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.2 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -128.26 131.8 48.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.14 -59.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -46.28 125.38 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.84 122.47 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -151.45 116.09 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 62.92 93.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.81 55.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -46.75 168.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -118.57 143.36 46.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 35' ' ' LEU . 15.6 m -129.71 154.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB3' ' CD2' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.37 131.83 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -75.78 130.24 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 15.5 pt -97.2 -12.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 16.6 m-85 -145.44 147.67 34.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.8 32.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -161.78 79.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.9 m -65.42 146.8 54.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.16 -56.52 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 84.35 72.88 1.28 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.5 t-20 77.29 -58.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -41.48 120.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -11.02 58.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.8 p -68.13 -47.6 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.21 154.65 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.02 124.47 48.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -89.42 120.91 31.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.048 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -155.85 169.79 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.62 156.01 19.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.38 131.88 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 104.32 -32.45 7.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -46.27 151.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.57 133.79 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.21 140.98 51.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 71.7 m -92.24 123.79 35.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' CD1' HG11 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -73.15 148.29 44.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.18 -40.08 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.92 136.52 19.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -13.88 21.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.79 178.37 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -130.13 141.05 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 1.1 tmtm? -79.04 63.5 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 60.01 66.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -41.05 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' LYS . 36.1 m95 -75.49 149.64 38.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -129.18 150.54 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -106.32 162.65 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 175.21 -172.8 45.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' THR . 73.4 tt0 -118.57 143.79 46.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.5 t-80 -83.44 138.47 33.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.72 43.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 43.2 m -156.6 -66.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.2 p -71.15 -24.96 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt 78.41 -0.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 162.54 13.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.8 136.96 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.02 -170.68 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.511 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 96.9 m95 -111.8 134.54 53.3 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -142.93 151.62 56.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.04 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 63.4 p -49.6 -23.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -30.82 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.509 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.0 m-85 -87.46 11.69 14.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 60' ' ' SER . 17.6 p -145.09 152.63 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -130.23 151.6 50.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.51 132.83 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 11' ' ' LYS . 8.8 mt -68.91 171.1 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.78 97.4 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.57 -178.7 41.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.01 34.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.79 154.36 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t 53.59 99.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.93 157.1 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.66 125.48 47.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.13 105.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -174.24 130.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -78.76 157.63 28.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.62 47.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.04 163.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -117.88 143.75 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m -129.51 155.11 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.87 131.79 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 p -76.12 127.95 33.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 42.4 pt -96.03 -8.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.0 m-85 -146.4 147.53 31.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.59 38.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -163.13 81.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 m -84.15 142.99 29.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -55.23 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.19 -55.43 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.64 -52.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -40.38 138.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 18.71 21.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.9 p -107.23 -51.94 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.97 130.94 41.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.7 tp -72.03 137.62 47.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -104.81 119.84 39.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.2 p90 -156.64 175.18 14.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.34 144.55 42.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.45 122.38 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.77 -31.05 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.93 153.79 3.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.14 134.23 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.86 138.12 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 51.9 m -93.97 123.59 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.91 151.11 46.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -122.56 -44.52 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt -102.53 137.72 19.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.42 21.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -99.02 177.3 5.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.09 142.49 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' TRP . 1.6 ttpt -76.96 65.12 2.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.84 65.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.21 -43.23 2.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 33.7 m95 -72.22 145.71 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -125.16 150.27 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.6 t80 -106.65 158.78 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.29 -172.99 43.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 47.7 tt0 -117.54 141.47 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.1 t-80 -82.39 135.71 35.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 13.1 t0 -88.05 45.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 86.3 m -157.87 -69.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -68.1 -24.05 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 78.49 -0.88 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 161.21 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -118.9 137.03 53.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.21 -169.64 12.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.429 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 94.7 m95 -111.71 134.96 52.92 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -142.53 151.69 58.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.1 p -49.21 -23.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -32.16 69.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -84.83 11.11 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.0 p -144.04 152.62 41.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 2.4 mttt -131.35 157.02 44.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.5 131.77 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.72 168.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -133.42 83.4 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.77 178.32 24.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -40.75 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.0 m 57.96 88.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.6 m 47.33 86.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 64.6 81.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -79.38 106.92 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.59 92.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.88 166.56 23.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.37 122.17 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.62 53.26 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.68 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.719 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -118.44 143.55 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 m -129.34 154.77 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.13 131.93 53.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 33' ' ' LEU . 77.5 p -78.18 129.53 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.592 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.4 pt -99.73 -7.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.1 m-85 -145.61 146.49 29.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 157.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -161.35 95.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.7 m -67.27 132.68 48.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -138.96 13.88 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' ALA . . . -36.67 -67.9 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.28 -67.33 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -41.95 143.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -22.96 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -87.49 -10.77 50.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.2 mt -107.87 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' CD2' HD22 ' A' ' 33' ' ' LEU . 10.5 tp -94.91 133.03 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 p -100.34 122.56 43.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.21 174.76 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.26 148.1 39.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -48.48 126.68 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.29 -33.75 5.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -48.16 151.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.88 133.64 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.46 142.01 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 85.6 m -94.2 123.69 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.25 150.02 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -120.35 -46.6 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.2 pt -97.2 137.43 21.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.66 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -94.52 173.88 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -121.62 149.96 42.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -79.02 57.6 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 59.92 50.02 7.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 115.15 -44.63 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 34.2 m95 -77.31 155.91 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -135.86 150.14 49.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 14.3 t80 -106.76 168.16 9.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 172.31 -176.57 45.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' THR . 55.6 tt0 -115.17 139.04 50.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.7 t-80 -76.12 144.64 40.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.553 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 17.3 t0 -90.63 44.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 8.6 m -161.15 -79.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -55.51 -25.29 36.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.69 1.75 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.06 159.83 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 136.94 52.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.25 -169.29 12.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -111.74 134.64 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 21.9 p90 -142.77 151.7 57.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 122.55 7.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' THR . 78.7 p -49.62 -23.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -31.27 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -85.68 10.91 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 60' ' ' SER . 30.0 p -145.06 152.53 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -132.63 160.2 37.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -76.45 133.04 39.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.95 174.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -131.78 82.17 2.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.78 168.1 37.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.3 2.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -45.98 136.42 6.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.87 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.122 . . . . 0.0 110.988 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -120.35 169.97 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 130.31 39.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.35 96.66 2.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -179.03 146.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -85.29 109.54 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.74 48.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.21 170.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -118.1 143.69 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 35' ' ' LEU . 3.7 m -129.1 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.91 131.79 54.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.3 p -75.08 128.95 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.8 pt -97.95 -11.54 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.7 m-85 -144.67 149.2 42.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 145.16 31.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -150.73 107.84 3.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -89.92 124.53 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.87 -38.72 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 70.53 47.04 44.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 7.5 t30 79.9 -66.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 24' ' ' LEU . 7.5 t30 39.08 -156.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.82 -50.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -115.84 49.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 73.7 mt -152.32 135.47 15.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 56' ' ' GLY . 14.3 tp -102.32 151.29 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -115.65 124.35 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p90 -162.96 167.1 23.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 157.02 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -54.22 136.47 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.94 -36.1 4.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -45.62 152.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.724 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.82 133.91 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.16 139.69 53.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' GLU . 77.7 m -94.14 123.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -67.47 148.6 51.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.9 mt -117.08 -42.59 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pt -111.59 138.32 21.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -12.94 21.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -95.8 171.81 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -131.86 150.72 52.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -79.41 64.8 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.53 29.34 18.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.14 -52.27 0.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 36.5 m95 -64.85 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -121.46 150.03 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -106.83 146.66 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -167.43 179.71 40.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' THR . 28.2 tt0 -108.39 149.33 28.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.571 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.2 t-80 -89.49 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 21.9 t0 -88.25 44.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 23.1 m -153.51 -78.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -65.48 -20.32 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.07 1.36 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.05 157.93 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.58 136.39 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.411 ' N ' HD12 ' A' ' 25' ' ' LEU . . . -133.76 -166.33 11.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -111.94 135.02 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.31 151.66 58.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.1 Cg_endo -75.06 121.0 6.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 63' ' ' THR . 86.8 p -49.74 -23.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -31.06 68.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.521 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.8 m-30 -86.18 11.16 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' SER . 2.9 p -145.12 152.74 40.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.06 157.62 43.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.9 133.83 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.62 174.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -149.43 91.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.99 -146.61 7.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 61.75 5.73 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -42.85 -59.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.2 m -129.78 107.3 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -52.43 119.7 4.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -49.28 107.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.12 134.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -174.39 112.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 0.763 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.77 114.72 26.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.57 53.36 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.9 169.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -118.45 143.53 46.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.418 ' CG1' HD12 ' A' ' 35' ' ' LEU . 14.5 m -129.45 154.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.59 131.87 54.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -76.99 128.61 34.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 43.5 pt -99.01 -10.2 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.2 m-85 -145.63 149.04 38.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.12 33.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -160.84 76.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.3 m -75.88 135.78 40.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 24' ' ' LEU . . . -90.02 89.03 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -108.63 0.31 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -50.03 -45.72 52.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -48.65 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -47.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -81.42 51.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 31.6 mt -149.54 135.87 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 56' ' ' GLY . 12.8 tp -82.3 135.23 35.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -99.36 120.74 40.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.0 p90 -158.96 173.48 16.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.49 148.19 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -48.44 131.31 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.59 -34.67 5.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -50.5 151.82 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.9 t -113.67 134.28 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.87 142.66 50.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.436 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 95.8 m -94.26 123.63 37.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.71 146.88 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' HD3' ' A' ' 55' ' ' ARG . 55.4 mt -114.66 -49.49 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt -99.42 137.22 20.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.95 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.41 173.2 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -125.86 139.32 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -75.56 65.9 1.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.4 62.13 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.42 -44.16 1.65 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 47.8 m95 -74.77 156.14 36.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -135.99 150.62 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 9.5 t80 -106.5 156.52 18.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.8 -175.37 44.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 45.6 tt0 -117.87 136.28 53.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.578 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 9.4 t-80 -76.12 141.21 42.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 3.9 t70 -93.01 46.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 28.3 m -159.18 -69.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.3 p -68.41 -24.18 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.48 -0.7 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.26 160.89 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -117.97 137.37 52.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 25' ' ' LEU . . . -132.97 -170.33 12.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.6 m95 -111.65 134.89 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 36.0 p90 -142.45 151.77 58.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.2 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.3 p -49.22 -23.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -31.96 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.7 m-30 -85.51 9.99 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 21.5 p -143.07 152.45 41.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -132.38 157.39 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.04 133.46 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.97 171.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -155.44 95.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.16 -169.96 22.23 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.44 42.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.402 1.738 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -137.9 119.63 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.04 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m 60.44 160.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -102.93 131.92 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -111.06 141.21 44.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.68 60.5 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.44 75.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -157.34 111.56 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.17 55.26 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -44.45 168.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.45 143.43 46.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' CG1' HD12 ' A' ' 35' ' ' LEU . 13.7 m -129.56 154.82 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 132.58 54.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 33' ' ' LEU . 62.3 p -75.46 139.34 42.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 14' ' ' PHE . 21.3 pt -107.59 -13.41 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' HG13 ' A' ' 13' ' ' ILE . 33.6 m-85 -145.87 149.04 38.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.94 33.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -156.09 80.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.609 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -85.38 142.52 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.54 -54.81 2.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.99 -57.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.56 157.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.08 0.71 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.2 p -92.62 -0.52 57.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -117.71 133.26 56.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 33' ' ' LEU . 12.5 tp -78.22 114.98 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 p -81.97 122.11 27.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -154.76 178.81 9.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.59 140.81 51.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -42.5 136.26 2.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.59 -35.05 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -49.99 149.96 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 133.96 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.13 142.11 50.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 25.9 m -94.19 123.65 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD12 ' CG1' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -72.34 144.75 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.01 -50.54 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.4 pt -97.3 134.36 22.79 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -8.77 20.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.72 171.62 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -124.31 149.09 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -83.95 70.71 10.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 60.52 38.48 18.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.0 -48.48 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 23.6 m95 -65.16 150.06 48.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -126.02 149.96 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 t80 -106.93 163.4 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 176.17 -178.4 47.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 49.6 tt0 -109.23 147.11 33.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 5.7 t-80 -89.66 136.52 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 8.8 t0 -88.4 45.37 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 21.3 m -153.81 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.3 p -74.74 -19.64 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt 75.31 2.11 3.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.17 150.44 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -110.81 136.77 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.53 -163.85 10.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -111.85 134.86 53.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 20.8 p90 -142.52 151.45 57.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -74.98 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 13.5 t -49.46 -22.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -32.02 69.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -81.5 -6.37 58.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.6 p -124.45 154.29 40.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -132.16 160.78 35.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.65 134.04 38.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.08 167.62 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.8 p -140.2 89.42 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.0 155.56 30.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 163.21 35.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m 60.31 113.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.38 97.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.09 105.22 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -177.57 143.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.75 167.45 19.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -113.69 -70.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.06 109.57 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.58 46.72 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.63 170.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -118.33 143.84 46.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 35' ' ' LEU . 3.6 m -128.95 154.75 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.95 131.9 54.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 33' ' ' LEU . 71.1 p -76.69 128.02 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 32.6 pt -97.27 -9.49 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.8 m-85 -145.66 148.0 35.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 151.07 39.34 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -161.37 92.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -89.26 146.98 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.09 -53.15 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.51 -58.08 5.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.33 -50.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.2 154.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -109.81 -51.13 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -48.96 -38.44 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.22 137.48 46.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -93.68 125.34 38.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -89.75 120.69 31.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.9 p90 -156.03 177.11 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.4 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.65 126.13 25.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.84 -35.5 4.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -50.1 152.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.75 134.59 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 12' ' ' THR . 0.3 OUTLIER -121.48 141.29 51.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 18.1 m -94.16 123.77 37.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 10' ' ' VAL . 1.3 mp -71.08 149.7 46.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.4 -47.87 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 pt -97.37 139.07 21.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.4 19.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.554 1.818 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -99.21 -178.53 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.49 165.38 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -98.3 52.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.76 53.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 107.66 -38.26 3.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 37.8 m95 -81.63 151.35 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -132.57 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 57' ' ' TRP . 6.2 t80 -106.64 156.68 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -177.96 -179.85 48.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 24.3 tt0 -110.5 144.96 38.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 38.3 t-80 -83.36 141.02 32.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 4.0 t70 -88.82 43.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 94.5 m -157.52 -84.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -53.7 -22.73 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 1.6 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.2 155.25 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.87 136.85 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' N ' HD11 ' A' ' 25' ' ' LEU . . . -133.15 -170.61 12.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 91.9 m95 -111.56 135.01 52.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -142.37 151.45 58.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 123.07 7.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 55.7 p -51.13 -24.62 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -25.98 63.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -91.97 10.8 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.1 p -145.07 152.62 40.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' CE ' HD11 ' A' ' 13' ' ' ILE . 5.8 mttt -132.11 156.23 46.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.79 133.4 41.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.93 170.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -147.27 84.85 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.26 -178.87 6.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.37 35.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.71 142.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 m -116.29 -60.07 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -144.17 137.74 27.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 76.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.67 -93.79 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -81.42 -9.35 59.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.02 117.79 35.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.9 51.19 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -53.59 162.0 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -118.12 143.51 46.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 35' ' ' LEU . 18.9 m -129.3 154.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' CB ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -122.71 133.63 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.427 ' CG2' HD13 ' A' ' 33' ' ' LEU . 58.3 p -72.99 138.83 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.446 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' CD ' ' A' ' 64' ' ' LYS . 4.2 pt -103.34 -4.79 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -155.08 154.64 29.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.05 29.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -161.16 95.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.0 m -85.9 159.25 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 -61.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.5 -112.19 4.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ASN . 5.0 t30 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' CG ' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.9 -52.3 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.73 -59.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.7 p -47.61 -52.07 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' CG ' ' A' ' 21' ' ' ASN . 12.5 mt -57.05 157.35 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.6 tp -95.65 123.31 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.7 p -85.77 120.21 26.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -156.6 170.36 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 149.02 37.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -48.31 129.07 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.94 -30.68 8.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.6 153.05 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.62 134.6 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.4 143.98 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 55.5 m -94.24 123.91 37.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' CD1' HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -75.53 143.54 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.81 -35.73 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.3 pt -96.62 138.77 21.42 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.54 21.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -113.91 -178.85 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.02 143.0 51.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' ' CZ3' ' A' ' 57' ' ' TRP . 3.8 mmtt -66.66 -166.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.04 71.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.46 2.47 82.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' LYS . 67.5 m95 -119.5 160.55 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -138.53 150.35 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.6 162.84 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 170.72 -175.44 44.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' THR . 49.0 tt0 -119.69 145.32 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.625 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.7 t-80 -79.67 146.55 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.572 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 2.4 t70 -89.68 43.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.625 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 1.1 m -162.9 -77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 p -53.91 -26.81 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 1.5 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 161.57 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -115.93 137.32 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.92 -171.88 12.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.548 ' CZ3' ' HG3' ' A' ' 41' ' ' LYS . 96.4 m95 -111.69 134.38 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -142.96 151.7 56.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 p -49.3 -23.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -31.25 68.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -85.56 11.24 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.8 p -145.18 153.32 41.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 8.1 ptmm? -131.64 152.51 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.62 129.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD23 ' CB ' ' A' ' 11' ' ' LYS . 11.0 mt -67.83 176.71 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -143.24 88.94 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.05 162.58 11.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.42 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 p -68.08 163.24 22.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 p -121.74 -58.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.86 166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -105.88 8.99 32.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.7 103.11 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 126.77 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -74.67 86.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.55 53.92 0.38 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.78 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -118.38 143.46 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.59 154.77 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.98 131.94 55.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.0 p -75.12 128.66 36.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 pt -97.32 -3.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -154.65 153.75 28.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.15 34.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.9 t-80 -140.52 134.57 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 m -130.73 140.14 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' GLY . . . -80.87 89.86 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 18' ' ' ALA . . . -54.54 -108.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -48.4 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -55.56 156.41 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -124.11 83.03 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.49 -40.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 0.3 OUTLIER -48.86 108.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 15.7 tp -57.38 112.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.37 138.53 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 11.9 p90 -174.35 -177.89 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.01 148.13 47.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -50.02 125.83 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.06 -31.89 6.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.13 152.34 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -112.62 133.89 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.14 140.78 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.1 m -94.13 123.29 37.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.36 144.33 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 mt -112.36 -45.87 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt -102.89 137.38 19.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.37 20.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 177.08 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -128.02 141.23 51.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -80.34 63.15 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 57.68 70.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.84 3.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 54.1 m95 -78.69 152.74 31.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -134.89 150.34 50.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.4 t80 -106.45 158.43 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.04 -172.99 41.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 42.5 tt0 -119.91 143.02 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.497 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 36.0 t-80 -85.15 134.61 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -87.93 46.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.497 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 24.3 m -156.97 -67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -72.03 -24.12 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.53 -0.42 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.77 159.17 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.77 137.0 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.22 -167.82 11.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 86.3 m95 -111.72 134.89 52.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -142.39 151.62 58.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 121.71 6.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 50.6 p -49.38 -23.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.18 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.5 m-85 -84.46 11.0 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.3 p -145.01 152.21 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -132.55 158.76 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.09 133.59 41.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.1 mt -60.48 175.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -140.51 87.99 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.5 158.46 29.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.05 9.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -142.14 81.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.83 -59.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 96.52 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.3 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.24 150.62 26.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -134.1 147.82 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.64 147.13 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.85 61.3 7.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -59.24 163.02 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -118.0 143.7 46.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' CG1' HD11 ' A' ' 35' ' ' LEU . 11.1 m -129.5 154.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -122.99 132.29 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.506 HG21 ' CE1' ' A' ' 27' ' ' PHE . 60.3 p -76.32 132.03 39.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 21.7 pt -97.75 -10.29 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 21.4 m-85 -142.6 147.66 43.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.21 42.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -147.02 173.78 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.649 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.9 m -145.62 137.69 25.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.31 -17.94 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -38.46 138.54 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.3 t-20 80.42 -67.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -52.3 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.7 46.88 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.03 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.5 mt -58.51 150.3 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.7 tp -100.34 157.82 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.84 125.54 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.51 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 27.5 p90 -165.05 156.06 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.54 170.34 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -70.29 116.16 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 117.02 -31.23 5.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.89 150.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.23 133.78 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.4 OUTLIER -122.24 144.72 48.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.1 m -94.06 123.59 37.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.02 144.57 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.34 -43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 46.7 pt -77.52 156.58 80.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -18.6 18.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 1.8 pm0 -176.92 170.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' N ' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -55.33 163.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -132.37 12.32 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 20.9 t70 173.73 39.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.65 -3.27 64.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 9.6 m95 -118.35 147.59 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 40' ' ' GLU . 13.3 mt -108.95 149.98 28.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 18.2 t80 -106.85 163.86 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 178.34 -174.24 46.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 34.6 tt0 -115.43 152.74 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.529 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 46.6 t-80 -92.98 137.64 32.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 6.4 t70 -87.74 45.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 17.3 m -157.33 -72.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 p -66.39 -23.49 66.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.67 1.69 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.15 160.74 14.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -117.79 137.14 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.04 -170.88 12.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 75.1 m95 -111.5 134.64 52.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.9 151.8 57.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.93 124.87 8.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' THR . 91.7 p -49.87 -24.7 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -30.42 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.3 m-85 -84.76 9.74 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.6 p -145.16 152.88 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -131.07 151.44 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.66 130.62 36.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' LYS . 11.5 mt -66.74 170.48 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -134.71 95.51 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.31 155.13 16.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 156.56 43.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.3 t -97.66 133.78 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.0 m -52.74 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -131.02 141.02 50.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p 44.36 83.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.16 133.9 3.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -141.95 103.9 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -156.18 100.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.16 52.36 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.18 162.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -118.1 143.34 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 35' ' ' LEU . 22.4 m -129.59 154.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -122.45 132.14 54.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.42 ' CG2' HD12 ' A' ' 33' ' ' LEU . 63.0 p -74.64 133.77 42.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 18.3 pt -99.13 -9.38 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 36.1 m-85 -147.7 151.44 39.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.06 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -160.26 91.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.5 m -67.17 134.93 52.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -134.29 12.26 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -36.84 138.05 0.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 80.46 -68.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -43.85 144.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 -23.61 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -77.28 -17.56 58.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -115.03 142.87 46.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 56' ' ' GLY . 8.6 tp -94.31 134.89 36.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 p -101.76 121.07 41.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 15.1 p90 -153.18 176.27 12.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.26 152.19 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.71 133.48 25.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.14 -30.19 10.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -51.0 151.86 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.95 134.19 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 12' ' ' THR . 0.5 OUTLIER -121.98 139.36 53.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 43.8 m -93.92 123.65 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -72.34 149.53 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.4 mt -120.68 -49.11 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt -97.69 136.11 21.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.41 21.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.07 176.23 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -133.4 138.18 46.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -70.53 66.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 54.9 52.88 11.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.3 -50.01 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' LYS . 28.7 m95 -67.85 147.33 52.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.95 150.21 48.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -106.62 160.81 15.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 179.23 -174.88 46.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' THR . 58.3 tt0 -115.8 139.71 49.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.545 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.7 t-80 -82.92 135.32 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.04 45.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.545 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 62.5 m -153.4 -75.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -71.14 -18.95 62.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt 74.5 3.72 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.28 149.33 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 136.83 47.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' N ' HD12 ' A' ' 25' ' ' LEU . . . -133.55 -168.19 11.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.163 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 97.3 m95 -111.81 134.69 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -142.72 151.51 57.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 121.76 6.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 52.0 p -49.64 -24.07 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.2 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.4 m-85 -83.55 9.74 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 24.0 p -145.05 152.9 40.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 3.3 mtpt -129.8 153.26 48.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.51 129.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 11' ' ' LYS . 12.7 mt -65.39 171.95 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 m -155.02 89.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.67 146.87 9.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 64.71 6.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 93.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -84.44 142.27 30.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -100.85 155.35 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -157.31 128.89 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.2 144.52 16.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 p -78.0 112.24 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -172.12 150.84 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 54.62 1.82 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -45.24 169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -117.11 143.86 45.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG11 ' CD2' ' A' ' 65' ' ' LEU . 2.7 m -128.98 154.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.44 130.48 52.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.2 p -76.39 127.34 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 26.5 pt -95.04 -9.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.9 m-85 -144.95 149.53 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.45 36.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 49.6 t-80 -158.87 86.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.9 m -77.73 145.63 36.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.16 -51.06 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -124.46 6.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.97 -51.97 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -57.01 130.41 45.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -27.59 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -55.19 -51.55 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.379 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.05 142.25 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 tp -88.84 130.87 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -94.12 121.7 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -157.43 164.54 37.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.67 168.2 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -71.59 114.68 9.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.08 -27.93 5.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.27 152.59 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.81 134.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.9 143.5 49.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.4 m -94.62 124.05 38.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.55 144.92 52.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -40.37 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.3 pt -104.89 137.81 19.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.3 21.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 2.1 mm-40 -102.08 172.65 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.47 139.69 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -65.16 -163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 65.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . 90.56 5.36 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 41' ' ' LYS . 24.5 m95 -117.43 157.66 25.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mt -134.5 149.79 50.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -107.06 155.94 19.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.7 179.18 48.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' THR . 65.1 tt0 -107.23 150.62 26.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.585 ' HD1' ' N ' ' A' ' 50' ' ' ASP . 8.0 t-80 -89.97 143.35 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.591 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.585 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 5.4 t70 -87.5 45.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.566 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 3.6 m -159.64 -93.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -24.27 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.85 6.01 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 151.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 136.72 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.62 -165.75 11.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.573 1.17 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 41' ' ' LYS . 95.0 m95 -111.85 134.4 53.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.91 153.19 60.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.04 119.03 5.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 63' ' ' THR . 38.4 p -49.38 -23.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -30.02 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 3.6 m-85 -84.73 7.9 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 19.0 p -142.76 151.42 41.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -133.76 156.01 48.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.485 ' CD2' HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -68.45 130.8 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mt -55.22 171.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.3 93.22 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.47 169.58 25.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.06 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -140.01 91.59 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t 68.44 156.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 -50.77 8.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.94 82.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.79 -130.12 1.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -139.22 -97.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.3 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.84 47.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -58.01 168.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -118.22 143.31 46.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 35' ' ' LEU . 21.1 m -129.65 154.53 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 139.85 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 33' ' ' LEU . 43.1 p -82.88 128.79 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 19.4 pt -96.0 -7.56 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.6 m-85 -148.0 151.25 37.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.93 30.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -154.61 94.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 t -73.58 157.57 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.26 9.21 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -37.52 138.12 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 3.4 t30 79.03 -62.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.07 179.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -131.65 -62.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -44.51 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.39 143.55 51.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -101.42 134.02 45.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 p -95.1 121.52 36.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 13.3 p90 -157.43 176.77 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.25 147.61 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -46.02 134.29 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.34 10.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 151.07 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -116.44 134.1 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -121.98 138.13 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 88.6 m -89.04 123.49 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 1.2 mp -71.55 148.52 46.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 35' ' ' LEU . 11.1 mt -145.52 43.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.4 pt -144.29 161.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.41 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 111.035 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -154.91 160.15 40.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.9 165.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 51.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.63 32.97 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 -47.42 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -81.24 162.14 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' CD1' ' CB ' ' A' ' 60' ' ' SER . 1.9 mt -141.56 148.08 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 32.1 t80 -109.11 171.72 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 160.03 179.39 34.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.23 151.7 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.8 t-80 -90.39 139.87 30.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 20.7 t0 -85.49 47.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 18.5 m -158.42 -76.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 p -69.35 -17.68 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt 72.16 6.0 5.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.32 153.23 17.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -109.86 136.75 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.421 ' N ' HD12 ' A' ' 25' ' ' LEU . . . -133.71 -170.44 12.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 60.4 m95 -111.67 134.7 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -142.64 151.87 58.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 63' ' ' THR . 58.5 p -50.86 -24.45 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -26.56 63.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -90.91 10.18 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 60' ' ' SER . 39.0 p -145.11 152.66 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 150.8 52.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.7 129.07 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.2 171.25 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 88.21 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.33 163.9 54.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.127 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -91.2 146.08 24.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -174.3 145.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -142.12 149.09 39.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -111.64 149.89 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.76 120.16 0.35 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -133.1 143.67 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -118.87 163.36 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 50.95 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -53.91 169.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -118.03 144.08 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.475 HG13 ' CD2' ' A' ' 65' ' ' LEU . 23.7 m -127.11 154.67 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -123.62 131.71 53.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.543 HG21 ' CD1' ' A' ' 27' ' ' PHE . 71.3 p -78.85 127.95 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.513 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 31.5 pt -100.64 -3.5 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.3 m-85 -144.75 148.5 39.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 141.57 26.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -158.22 109.81 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -108.87 142.78 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.83 89.33 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -85.55 105.35 2.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 6.6 t30 80.98 -59.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -53.34 164.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -120.7 -54.73 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.68 -54.24 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.06 136.54 47.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' CD1' ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -78.54 -177.95 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.536 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 21.8 p -137.91 122.07 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 12' ' ' THR . 36.2 p90 -160.02 169.72 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.07 144.49 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.54 118.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.86 -37.04 3.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -49.65 153.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.05 134.27 61.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.92 142.38 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.5 m -94.28 123.72 37.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -70.27 148.88 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.19 -44.42 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 pt -106.25 136.93 19.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.21 20.9 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.87 176.15 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -127.78 142.22 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' TRP . 13.3 tttt -80.65 67.26 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.56 60.84 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.46 -40.49 2.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 39.0 m95 -74.48 154.71 38.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.1 150.51 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 t80 -106.51 159.87 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.11 -172.43 42.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 27.5 tt0 -123.76 141.63 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 26' ' ' SER . 49.6 t-80 -81.76 139.81 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.29 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.442 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 15.6 m -154.01 -71.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 p -67.59 -20.94 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 72.94 4.84 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.34 167.2 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -123.95 136.39 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.96 -173.89 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 90.9 m95 -111.83 133.88 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 6.4 p90 -143.34 155.15 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.92 125.39 9.34 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.8 p -51.24 -24.26 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -27.37 63.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.2 m-85 -88.27 9.32 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 60' ' ' SER . 26.5 p -145.27 152.01 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HG2' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -133.26 150.47 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.07 130.84 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -55.83 171.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -156.56 98.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.35 -162.6 38.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.76 6.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -122.71 117.83 26.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.56 154.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.89 -58.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.34 129.08 52.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.64 -169.69 26.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 103.49 12.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.769 . . . . 0.0 109.973 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -122.76 156.89 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.83 49.67 2.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.1 170.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -116.99 143.89 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 35' ' ' LEU . 31.1 m -128.3 154.7 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.05 131.49 53.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 p -74.79 134.21 41.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 27.8 pt -104.8 -5.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 29.8 m-85 -148.27 150.1 33.77 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.82 31.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -151.68 93.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.7 m -68.14 135.5 52.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -141.88 15.77 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 18' ' ' ALA . . . -36.07 -76.68 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -51.94 -66.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' ND2' HD11 ' A' ' 24' ' ' LEU . 18.6 m-20 -40.34 144.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 p -84.23 3.55 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD11 ' ND2' ' A' ' 21' ' ' ASN . 30.3 mt -121.06 142.01 50.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 12.9 tp -89.71 124.32 34.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 30.1 p -93.87 121.26 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 16.7 p90 -152.24 179.2 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.09 151.29 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -48.68 122.92 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.59 -35.42 4.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -47.94 152.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -117.13 133.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 142.72 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.8 m -93.61 123.19 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' CD1' ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.68 140.42 53.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.63 -27.46 8.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 19.7 pt -112.44 138.55 21.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -29.24 8.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -168.31 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -132.18 164.66 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 13.4 tttp -90.03 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.9 t0 75.24 32.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.93 -32.32 1.92 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 18.7 m95 -110.37 137.78 47.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' HB2' ' A' ' 40' ' ' GLU . 4.0 mm? -121.25 149.96 42.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -106.88 138.73 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -156.39 -176.3 28.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' THR . 21.5 tt0 -114.24 135.91 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.59 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 16.4 t-80 -78.28 137.54 38.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -98.81 50.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.59 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -155.78 -44.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.84 -18.68 13.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 79.44 -2.84 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.36 147.55 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.84 136.53 52.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' N ' ' CD1' ' A' ' 25' ' ' LEU . . . -133.76 -167.1 11.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.74 135.21 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 4.8 p90 -142.45 151.55 58.03 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.05 121.31 6.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.54 -23.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.75 67.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -86.95 11.21 14.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.8 p -145.3 151.57 38.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -133.45 154.23 50.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD2' HG13 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.23 130.99 44.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 171.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.0 p -146.07 79.04 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.97 -145.52 15.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.98 30.11 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.7 t -121.84 105.87 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -136.12 -58.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 t -82.04 115.15 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.51 155.99 27.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -12.94 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -127.79 144.72 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.01 52.01 0.08 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -56.05 159.07 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -118.07 143.47 46.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 m -129.52 154.75 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.45 131.96 55.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.532 HG21 ' CE1' ' A' ' 27' ' ' PHE . 68.1 p -75.29 133.86 41.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CG2' ' HG3' ' A' ' 64' ' ' LYS . 16.7 pt -101.93 -11.23 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 13' ' ' ILE . 31.7 m-85 -144.9 149.6 43.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.4 37.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -171.29 84.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -87.36 138.9 31.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 25' ' ' LEU . . . -65.72 -60.75 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 64.12 97.43 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.8 t-20 80.2 -55.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -49.9 169.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -126.94 -57.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.117 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' LYS . 79.8 p -38.9 -54.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.06 140.89 43.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -76.93 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' N ' HD22 ' A' ' 25' ' ' LEU . 83.7 p -167.37 119.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.532 ' CE1' HG21 ' A' ' 12' ' ' THR . 30.5 p90 -156.24 175.58 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . -123.22 139.02 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.7 tt0 -38.36 118.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.7 -37.37 3.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -48.36 154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -116.96 133.9 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.25 143.35 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.0 m -93.76 122.85 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.5 mt -77.84 145.68 36.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.65 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.2 pt -97.75 135.51 21.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -15.02 20.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.01 168.72 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.48 143.83 50.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -78.29 64.34 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 60.04 42.1 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.43 -51.13 0.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' LYS . 43.2 m95 -67.89 152.48 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mt -132.03 150.36 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CD1' ' CE2' ' A' ' 57' ' ' TRP . 7.6 t80 -106.71 147.32 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.06 177.76 46.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' THR . 30.2 tt0 -108.23 159.05 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 34.4 t-80 -98.08 149.61 22.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 8.4 t70 -96.39 46.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.569 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 6.9 m -161.68 -72.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 16.4 p -67.72 -27.33 66.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.444 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 52' ' ' THR . 5.6 mmmt 80.2 -3.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.19 164.57 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -129.83 136.09 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.8 -169.5 11.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 87.3 m95 -111.9 133.9 53.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -143.33 154.81 61.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 22.8 p -49.82 -23.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -31.0 67.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -84.45 9.42 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 25.0 p -145.01 156.25 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 7.3 mtpt -131.86 154.09 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.83 131.98 37.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.16 174.47 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -148.58 93.26 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.13 153.7 7.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.44 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 t -161.52 126.3 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 p -123.21 163.6 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -155.21 102.94 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 53.81 98.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.18 116.29 4.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.85 105.97 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -128.68 94.2 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.61 52.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -57.47 161.64 3.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -118.22 143.34 46.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 35' ' ' LEU . 5.0 m -129.6 154.13 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' CB ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -120.6 131.82 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.686 ' CG2' ' CD2' ' A' ' 27' ' ' PHE . 70.8 p -74.89 133.61 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.572 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.9 pt -101.46 -6.91 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.2 m-85 -144.5 147.52 36.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.05 28.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -164.72 101.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.636 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -97.56 140.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.1 -52.34 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.59 -124.56 36.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -42.55 -56.56 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.22 135.48 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.13 3.4 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -92.22 -48.18 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -76.78 156.76 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' CD1' ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -89.38 174.3 7.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.404 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 35.4 p -130.75 119.89 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.686 ' CD2' ' CG2' ' A' ' 12' ' ' THR . 37.3 p90 -153.05 161.5 42.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.82 144.14 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -42.45 121.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.13 -32.36 6.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 49' ' ' HIS . 21.7 m-20 -53.22 153.12 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -114.79 133.85 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.4 141.95 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 52.9 m -94.46 123.51 37.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.37 146.54 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.5 mt -113.53 -48.78 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.7 pt -107.15 136.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -92.19 170.99 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.53 140.49 52.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TRP . 13.9 tttp -78.97 66.38 4.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 60.31 44.55 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.42 -49.83 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 42.0 m95 -67.3 149.52 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 11.5 mt -128.14 149.4 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 21.7 t80 -107.43 140.07 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.44 -176.05 31.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.3 tt0 -121.21 142.85 49.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 21.5 t-80 -83.95 145.84 28.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 25.0 t0 -92.87 46.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.503 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 16.2 m -155.99 -75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.3 p -68.31 -22.34 64.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 72.38 9.98 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.07 148.36 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.33 135.06 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.08 -168.53 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 89.6 m95 -112.22 132.99 54.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -144.1 154.28 57.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.05 125.88 9.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' THR . 9.5 p -51.79 -21.33 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -31.34 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.3 m-30 -82.62 8.41 11.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 60' ' ' SER . 36.2 p -144.41 153.59 42.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 157.33 44.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.0 128.84 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD23 ' CB ' ' A' ' 11' ' ' LYS . 13.9 mt -62.86 170.24 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.2 p -125.79 87.74 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.52 -145.03 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 91.48 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -84.88 154.96 21.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -107.92 95.78 5.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 110.977 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -118.37 143.64 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.055 HG13 HD11 ' A' ' 35' ' ' LEU . 27.6 m -129.46 154.73 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.4 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' THR . 70.3 p -79.38 127.93 32.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 41.5 pt -97.45 -11.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 23.4 m-85 -143.67 148.24 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -52.0 125.93 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 -34.7 5.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -47.48 150.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.05 134.04 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 137.78 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 94.5 m -91.06 123.45 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.055 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -71.76 150.16 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.662 HD11 ' HD3' ' A' ' 55' ' ' ARG . 50.5 mt -118.68 -47.92 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 49.6 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -128.92 150.27 50.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.5 t80 -106.6 159.59 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -179.53 -174.9 45.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 40.9 tt0 -117.38 139.53 50.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.2 135.64 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.96 45.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -156.68 -72.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -67.45 -23.69 65.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt 78.5 -0.7 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.25 153.83 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.662 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.62 137.59 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.9 -170.65 12.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.1 m95 -111.62 135.04 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.41 151.59 58.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.96 122.4 7.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' THR . 53.5 p -49.47 -23.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.26 69.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.7 m-85 -85.89 11.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -144.78 152.2 39.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 3.6 mttt -132.36 154.79 49.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -118.19 143.72 46.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.008 HG13 HD11 ' A' ' 35' ' ' LEU . 13.6 m -129.26 154.59 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 137.08 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 63' ' ' THR . 49.4 p -80.57 132.11 35.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.626 HG23 ' HG2' ' A' ' 64' ' ' LYS . 39.1 pt -102.33 -7.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.4 m-85 -148.11 148.48 29.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -44.69 136.52 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.7 -37.4 3.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -47.8 148.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.2 133.9 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.08 138.31 54.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 55.5 m -90.44 123.45 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.008 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.09 145.21 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -115.53 -45.48 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 46.7 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.95 150.16 50.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.3 t80 -106.66 160.01 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.39 -175.11 45.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 33.1 tt0 -114.3 139.69 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.494 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.0 t-80 -82.91 135.71 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -87.82 45.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 68.0 m -153.79 -76.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -68.56 -19.33 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt 75.66 3.24 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.23 -167.79 11.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 88.7 m95 -111.57 134.86 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 151.78 58.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.99 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' THR . 95.8 p -49.53 -23.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -70.8 -31.88 68.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -84.71 8.15 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 12' ' ' THR . 28.9 p -141.75 152.49 43.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.626 ' HG2' HG23 ' A' ' 13' ' ' ILE . 6.5 ptmm? -132.55 155.11 49.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.28 143.58 46.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 35' ' ' LEU . 5.4 m -129.25 154.79 40.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.12 131.81 54.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 63' ' ' THR . 68.2 p -78.37 128.59 33.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.713 HG23 ' HG2' ' A' ' 64' ' ' LYS . 38.6 pt -99.74 -7.26 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.3 m-85 -145.26 147.01 32.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 49.5 tt0 -53.64 120.15 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.67 -30.53 5.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.41 154.02 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -114.84 134.3 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.76 140.83 51.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 35.1 m -94.09 123.48 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.964 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.19 145.89 47.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -114.98 -49.16 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.8 pt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 18.6 m95 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.95 150.3 52.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -106.66 153.2 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -172.19 -175.48 40.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 19.9 tt0 -115.85 137.67 51.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 27.5 t-80 -75.24 143.08 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.16 41.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 35.9 m -159.19 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 p -49.56 -24.95 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.65 0.37 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.39 160.87 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.44 -169.04 12.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -111.81 135.06 52.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.35 151.75 58.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 121.59 6.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 87.6 p -49.4 -23.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -32.22 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.2 m-85 -85.5 11.62 10.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -145.14 152.42 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.713 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.64 159.13 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -118.57 143.36 46.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 35' ' ' LEU . 15.6 m -129.71 154.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -124.37 131.83 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 63' ' ' THR . 72.8 p -75.78 130.24 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.637 HD13 ' HD2' ' A' ' 64' ' ' LYS . 15.5 pt -97.2 -12.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 16.6 m-85 -145.44 147.67 34.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.38 131.88 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 104.32 -32.45 7.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -46.27 151.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.57 133.79 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.21 140.98 51.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 71.7 m -92.24 123.79 35.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -73.15 148.29 44.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.18 -40.08 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CB ' ' A' ' 60' ' ' SER . 9.2 mt -129.18 150.54 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -106.32 162.65 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 175.21 -172.8 45.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' THR . 73.4 tt0 -118.57 143.79 46.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.524 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.5 t-80 -83.44 138.47 33.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.72 43.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 43.2 m -156.6 -66.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.2 p -71.15 -24.96 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt 78.41 -0.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 162.54 13.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.8 136.96 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.02 -170.68 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.8 134.54 53.3 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -142.93 151.62 56.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.04 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' HD12 ' A' ' 45' ' ' LEU . 63.4 p -49.6 -23.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -30.82 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.0 m-85 -87.46 11.69 14.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 12' ' ' THR . 17.6 p -145.09 152.63 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.637 ' HD2' HD13 ' A' ' 13' ' ' ILE . 11.4 mtpt -130.23 151.6 50.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.559 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mm-40 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -117.88 143.75 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 35' ' ' LEU . 4.3 m -129.51 155.11 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.87 131.79 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 63' ' ' THR . 60.0 p -76.12 127.95 33.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 42.4 pt -96.03 -8.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.0 m-85 -146.4 147.53 31.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.45 122.38 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.77 -31.05 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.93 153.79 3.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.14 134.23 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.86 138.12 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 51.9 m -93.97 123.59 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -69.91 151.11 46.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -122.56 -44.52 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 33.7 m95 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -125.16 150.27 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.6 t80 -106.65 158.78 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.29 -172.99 43.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 47.7 tt0 -117.54 141.47 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.1 t-80 -82.39 135.71 35.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.05 45.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 86.3 m -157.87 -69.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -68.1 -24.05 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 78.49 -0.88 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 161.21 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -118.9 137.03 53.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.21 -169.64 12.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 94.7 m95 -111.71 134.96 52.92 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -142.53 151.69 58.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.1 p -49.21 -23.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -32.16 69.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -84.83 11.11 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -144.04 152.62 41.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 2.4 mttt -131.35 157.02 44.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -118.44 143.55 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.957 HG13 HD11 ' A' ' 35' ' ' LEU . 9.0 m -129.34 154.77 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.13 131.93 53.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 63' ' ' THR . 77.5 p -78.18 129.53 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 64' ' ' LYS . 37.4 pt -99.73 -7.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.1 m-85 -145.61 146.49 29.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -48.48 126.68 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.29 -33.75 5.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -48.16 151.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.88 133.64 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.46 142.01 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 85.6 m -94.2 123.69 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.25 150.02 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -120.35 -46.6 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.2 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 34.2 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -135.86 150.14 49.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 14.3 t80 -106.76 168.16 9.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 172.31 -176.57 45.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' THR . 55.6 tt0 -115.17 139.04 50.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.54 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.7 t-80 -76.12 144.64 40.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -90.63 44.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 8.6 m -161.15 -79.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -55.51 -25.29 36.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.69 1.75 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.06 159.83 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 136.94 52.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.25 -169.29 12.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -111.74 134.64 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 21.9 p90 -142.77 151.7 57.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 122.55 7.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' THR . 78.7 p -49.62 -23.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -31.27 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -85.68 10.91 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 12' ' ' THR . 30.0 p -145.06 152.53 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 13' ' ' ILE . 2.9 pttp -132.63 160.2 37.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mm100 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -118.1 143.69 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.669 HG13 HD11 ' A' ' 35' ' ' LEU . 3.7 m -129.1 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.91 131.79 54.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 36.3 p -75.08 128.95 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.8 pt -97.95 -11.54 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.7 m-85 -144.67 149.2 42.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -54.22 136.47 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.94 -36.1 4.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -45.62 152.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.724 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.82 133.91 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -122.16 139.69 53.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' GLU . 77.7 m -94.14 123.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.669 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -67.47 148.6 51.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 46' ' ' TYR . 81.9 mt -117.08 -42.59 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 36.5 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -121.46 150.03 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 36' ' ' LEU . 21.0 t80 -106.83 146.66 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -167.43 179.71 40.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' THR . 28.2 tt0 -108.39 149.33 28.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.528 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.2 t-80 -89.49 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -88.25 44.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 23.1 m -153.51 -78.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -65.48 -20.32 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.07 1.36 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.05 157.93 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.58 136.39 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.76 -166.33 11.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -111.94 135.02 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.31 151.66 58.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.1 Cg_endo -75.06 121.0 6.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 63' ' ' THR . 86.8 p -49.74 -23.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -31.06 68.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.8 m-30 -86.18 11.16 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 2.9 p -145.12 152.74 40.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -132.06 157.62 43.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -118.45 143.53 46.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.034 HG13 HD11 ' A' ' 35' ' ' LEU . 14.5 m -129.45 154.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.59 131.87 54.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -76.99 128.61 34.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.642 HD13 ' HD2' ' A' ' 64' ' ' LYS . 43.5 pt -99.01 -10.2 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.2 m-85 -145.63 149.04 38.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -48.44 131.31 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.59 -34.67 5.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -50.5 151.82 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.9 t -113.67 134.28 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.87 142.66 50.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.8 m -94.26 123.63 37.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.034 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.71 146.88 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 55' ' ' ARG . 55.4 mt -114.66 -49.49 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 47.8 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -135.99 150.62 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 9.5 t80 -106.5 156.52 18.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.8 -175.37 44.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 45.6 tt0 -117.87 136.28 53.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 9.4 t-80 -76.12 141.21 42.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -93.01 46.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 28.3 m -159.18 -69.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.3 p -68.41 -24.18 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.48 -0.7 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.26 160.89 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -117.97 137.37 52.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.97 -170.33 12.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.6 m95 -111.65 134.89 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 36.0 p90 -142.45 151.77 58.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.2 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.3 p -49.22 -23.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -31.96 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.7 m-30 -85.51 9.99 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 21.5 p -143.07 152.45 41.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.642 ' HD2' HD13 ' A' ' 13' ' ' ILE . 6.7 mtpt -132.38 157.39 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.45 143.43 46.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.947 HG13 HD11 ' A' ' 35' ' ' LEU . 13.7 m -129.56 154.82 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 132.58 54.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 63' ' ' THR . 62.3 p -75.46 139.34 42.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 14' ' ' PHE . 21.3 pt -107.59 -13.41 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' HG13 ' A' ' 13' ' ' ILE . 33.6 m-85 -145.87 149.04 38.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -42.5 136.26 2.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.59 -35.05 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -49.99 149.96 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 133.96 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.13 142.11 50.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 25.9 m -94.19 123.65 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -72.34 144.75 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.01 -50.54 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 pt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 23.6 m95 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 45' ' ' LEU . 9.8 mt -126.02 149.96 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 t80 -106.93 163.4 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 176.17 -178.4 47.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 49.6 tt0 -109.23 147.11 33.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 5.7 t-80 -89.66 136.52 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.4 45.37 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 21.3 m -153.81 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.3 p -74.74 -19.64 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt 75.31 2.11 3.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.17 150.44 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -110.81 136.77 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.53 -163.85 10.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -111.85 134.86 53.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 20.8 p90 -142.52 151.45 57.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -74.98 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 13.5 t -49.46 -22.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -32.02 69.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -81.5 -6.37 58.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -124.45 154.29 40.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' HG23 ' A' ' 13' ' ' ILE . 9.2 pttp -132.16 160.78 35.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 35' ' ' LEU . 5.4 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -118.33 143.84 46.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 35' ' ' LEU . 3.6 m -128.95 154.75 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.95 131.9 54.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 63' ' ' THR . 71.1 p -76.69 128.02 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 32.6 pt -97.27 -9.49 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.8 m-85 -145.66 148.0 35.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.65 126.13 25.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.84 -35.5 4.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -50.1 152.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.75 134.59 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.48 141.29 51.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 18.1 m -94.16 123.77 37.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 HG13 ' A' ' 10' ' ' VAL . 1.3 mp -71.08 149.7 46.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.4 -47.87 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 37.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -132.57 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 57' ' ' TRP . 6.2 t80 -106.64 156.68 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -177.96 -179.85 48.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 24.3 tt0 -110.5 144.96 38.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.434 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 38.3 t-80 -83.36 141.02 32.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 4.0 t70 -88.82 43.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 94.5 m -157.52 -84.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -53.7 -22.73 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 1.6 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.2 155.25 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.87 136.85 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.15 -170.61 12.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 91.9 m95 -111.56 135.01 52.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -142.37 151.45 58.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 123.07 7.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.7 p -51.13 -24.62 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -25.98 63.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.528 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -91.97 10.8 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' THR . 17.1 p -145.07 152.62 40.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 5.8 mttt -132.11 156.23 46.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -118.12 143.51 46.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.089 HG13 HD11 ' A' ' 35' ' ' LEU . 18.9 m -129.3 154.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.71 133.63 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 63' ' ' THR . 58.3 p -72.99 138.83 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.446 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' CD ' ' A' ' 64' ' ' LYS . 4.2 pt -103.34 -4.79 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -155.08 154.64 29.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -48.31 129.07 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.94 -30.68 8.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.6 153.05 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.62 134.6 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.4 143.98 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 55.5 m -94.24 123.91 37.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.089 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -75.53 143.54 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 55' ' ' ARG . 31.5 mt -113.81 -35.73 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.3 pt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.5 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -138.53 150.35 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.6 162.84 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 170.72 -175.44 44.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' THR . 49.0 tt0 -119.69 145.32 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.604 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.7 t-80 -79.67 146.55 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -89.68 43.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 1.1 m -162.9 -77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 44.8 p -53.91 -26.81 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 1.5 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 161.57 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -115.93 137.32 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.92 -171.88 12.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -111.69 134.38 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -142.96 151.7 56.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 p -49.3 -23.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -70.33 -31.25 68.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -85.56 11.24 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 12' ' ' THR . 23.8 p -145.18 153.32 41.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 8.1 ptmm? -131.64 152.51 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -118.38 143.46 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 35' ' ' LEU . 10.1 m -129.59 154.77 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.98 131.94 55.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 44.0 p -75.12 128.66 36.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 pt -97.32 -3.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -154.65 153.75 28.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.996 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -50.02 125.83 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.06 -31.89 6.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.13 152.34 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -112.62 133.89 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.14 140.78 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.1 m -94.13 123.29 37.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.915 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.36 144.33 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 55' ' ' ARG . 58.2 mt -112.36 -45.87 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 54.1 m95 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -134.89 150.34 50.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.4 t80 -106.45 158.43 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.04 -172.99 41.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 42.5 tt0 -119.91 143.02 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.443 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 36.0 t-80 -85.15 134.61 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -87.93 46.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.443 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 24.3 m -156.97 -67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -72.03 -24.12 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.53 -0.42 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.77 159.17 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -119.77 137.0 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.22 -167.82 11.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 86.3 m95 -111.72 134.89 52.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -142.39 151.62 58.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 121.71 6.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 50.6 p -49.38 -23.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.18 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.5 m-85 -84.46 11.0 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 11.3 p -145.01 152.21 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 mttt -132.55 158.76 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -118.0 143.7 46.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.994 HG13 HD11 ' A' ' 35' ' ' LEU . 11.1 m -129.5 154.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' NZ ' ' HA2' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -122.99 132.29 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.639 HG22 HG22 ' A' ' 63' ' ' THR . 60.3 p -76.32 132.03 39.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 21.7 pt -97.75 -10.29 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 21.4 m-85 -142.6 147.66 43.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -70.29 116.16 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 117.02 -31.23 5.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.89 150.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.23 133.78 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 144.72 48.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.1 m -94.06 123.59 37.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.02 144.57 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.34 -43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 9.6 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.95 149.98 28.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 18.2 t80 -106.85 163.86 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 178.34 -174.24 46.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 34.6 tt0 -115.43 152.74 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 46.6 t-80 -92.98 137.64 32.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.74 45.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 17.3 m -157.33 -72.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 p -66.39 -23.49 66.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.67 1.69 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.15 160.74 14.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -117.79 137.14 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.04 -170.88 12.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 75.1 m95 -111.5 134.64 52.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.9 151.8 57.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.93 124.87 8.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' THR . 91.7 p -49.87 -24.7 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -30.42 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.3 m-85 -84.76 9.74 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.639 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -145.16 152.88 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -131.07 151.44 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -118.1 143.34 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.836 HG13 HD11 ' A' ' 35' ' ' LEU . 22.4 m -129.59 154.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 132.14 54.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 63' ' ' THR . 63.0 p -74.64 133.77 42.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.451 HD13 ' HD2' ' A' ' 64' ' ' LYS . 18.3 pt -99.13 -9.38 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 36.1 m-85 -147.7 151.44 39.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.71 133.48 25.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.14 -30.19 10.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -51.0 151.86 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.95 134.19 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.98 139.36 53.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 43.8 m -93.92 123.65 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.836 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -72.34 149.53 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.4 mt -120.68 -49.11 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.7 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.95 150.21 48.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -106.62 160.81 15.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 179.23 -174.88 46.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' THR . 58.3 tt0 -115.8 139.71 49.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.492 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.7 t-80 -82.92 135.32 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.04 45.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.492 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 62.5 m -153.4 -75.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -71.14 -18.95 62.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt 74.5 3.72 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.28 149.33 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 136.83 47.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.55 -168.19 11.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.163 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -111.81 134.69 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -142.72 151.51 57.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 121.76 6.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 52.0 p -49.64 -24.07 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.2 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.4 m-85 -83.55 9.74 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 12' ' ' THR . 24.0 p -145.05 152.9 40.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HD2' HD13 ' A' ' 13' ' ' ILE . 3.3 mtpt -129.8 153.26 48.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -117.11 143.86 45.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 35' ' ' LEU . 2.7 m -128.98 154.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.44 130.48 52.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 63' ' ' THR . 51.2 p -76.39 127.34 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 26.5 pt -95.04 -9.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.9 m-85 -144.95 149.53 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -71.59 114.68 9.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.08 -27.93 5.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.27 152.59 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.81 134.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -121.9 143.5 49.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.4 m -94.62 124.05 38.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -69.55 144.92 52.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -40.37 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 pt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 24.5 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 60' ' ' SER . 4.2 mt -134.5 149.79 50.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -107.06 155.94 19.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.7 179.18 48.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 65.1 tt0 -107.23 150.62 26.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.526 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.0 t-80 -89.97 143.35 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.591 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -87.5 45.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 3.6 m -159.64 -93.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.501 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -48.38 -24.27 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.85 6.01 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 151.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 136.72 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.62 -165.75 11.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.573 1.17 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -111.85 134.4 53.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.91 153.19 60.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.04 119.03 5.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.423 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 p -49.38 -23.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -30.02 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 3.6 m-85 -84.73 7.9 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -142.76 151.42 41.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 13' ' ' ILE . 14.6 mttm -133.76 156.01 48.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mm100 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -118.22 143.31 46.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.075 HG13 HD11 ' A' ' 35' ' ' LEU . 21.1 m -129.65 154.53 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 139.85 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 63' ' ' THR . 43.1 p -82.88 128.79 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 19.4 pt -96.0 -7.56 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.6 m-85 -148.0 151.25 37.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -46.02 134.29 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.34 10.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 151.07 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -116.44 134.1 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.98 138.13 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 88.6 m -89.04 123.49 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.075 HD11 HG13 ' A' ' 10' ' ' VAL . 1.2 mp -71.55 148.52 46.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.926 HD23 ' O ' ' A' ' 35' ' ' LEU . 11.1 mt -145.52 43.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.51 HD11 ' H ' ' A' ' 46' ' ' TYR . 2.4 pt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' CB ' ' A' ' 60' ' ' SER . 1.9 mt -141.56 148.08 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 32.1 t80 -109.11 171.72 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 160.03 179.39 34.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.23 151.7 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.518 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.8 t-80 -90.39 139.87 30.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -85.49 47.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 18.5 m -158.42 -76.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 52' ' ' THR . 19.7 p -69.35 -17.68 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt 72.16 6.0 5.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.32 153.23 17.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -109.86 136.75 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.71 -170.44 12.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 60.4 m95 -111.67 134.7 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -142.64 151.87 58.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.896 ' CB ' HD12 ' A' ' 45' ' ' LEU . 58.5 p -50.86 -24.45 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -26.56 63.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -90.91 10.18 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 12' ' ' THR . 39.0 p -145.11 152.66 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.41 150.8 52.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -118.03 144.08 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.999 HG13 HD11 ' A' ' 35' ' ' LEU . 23.7 m -127.11 154.67 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.62 131.71 53.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.645 HG22 HG22 ' A' ' 63' ' ' THR . 71.3 p -78.85 127.95 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 64' ' ' LYS . 31.5 pt -100.64 -3.5 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.3 m-85 -144.75 148.5 39.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.54 118.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.86 -37.04 3.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -49.65 153.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.05 134.27 61.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.92 142.38 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.5 m -94.28 123.72 37.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.999 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -70.27 148.88 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 55' ' ' ARG . 33.5 mt -117.19 -44.42 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 39.0 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.1 150.51 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 t80 -106.51 159.87 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.11 -172.43 42.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 27.5 tt0 -123.76 141.63 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -81.76 139.81 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.29 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.6 m -154.01 -71.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 p -67.59 -20.94 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 72.94 4.84 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.34 167.2 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -123.95 136.39 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.96 -173.89 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 90.9 m95 -111.83 133.88 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 6.4 p90 -143.34 155.15 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.92 125.39 9.34 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.8 p -51.24 -24.26 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -27.37 63.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.2 m-85 -88.27 9.32 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.645 HG22 HG22 ' A' ' 12' ' ' THR . 26.5 p -145.27 152.01 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -133.26 150.47 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -116.99 143.89 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.027 ' CG1' HD11 ' A' ' 35' ' ' LEU . 31.1 m -128.3 154.7 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.05 131.49 53.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 p -74.79 134.21 41.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.861 HD13 ' HD2' ' A' ' 64' ' ' LYS . 27.8 pt -104.8 -5.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 29.8 m-85 -148.27 150.1 33.77 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 110.969 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -48.68 122.92 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.59 -35.42 4.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -47.94 152.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -117.13 133.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 142.72 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.8 m -93.61 123.19 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.027 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.68 140.42 53.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.63 -27.46 8.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.7 pt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.549 ' O ' HD22 ' A' ' 45' ' ' LEU . 18.7 m95 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD23 ' CB ' ' A' ' 60' ' ' SER . 4.0 mm? -121.25 149.96 42.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -106.88 138.73 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -156.39 -176.3 28.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' THR . 21.5 tt0 -114.24 135.91 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.613 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 16.4 t-80 -78.28 137.54 38.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -98.81 50.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.613 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -155.78 -44.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.84 -18.68 13.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 79.44 -2.84 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.36 147.55 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.84 136.53 52.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.76 -167.1 11.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.74 135.21 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 4.8 p90 -142.45 151.55 58.03 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.05 121.31 6.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.54 -23.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.75 67.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.532 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -86.95 11.21 14.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.8 p -145.3 151.57 38.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.861 ' HD2' HD13 ' A' ' 13' ' ' ILE . 45.9 mtpt -133.45 154.23 50.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.712 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -118.07 143.47 46.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 35' ' ' LEU . 20.9 m -129.52 154.75 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.45 131.96 55.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.521 HG22 HG22 ' A' ' 63' ' ' THR . 68.1 p -75.29 133.86 41.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.546 HD13 ' HD2' ' A' ' 64' ' ' LYS . 16.7 pt -101.93 -11.23 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 13' ' ' ILE . 31.7 m-85 -144.9 149.6 43.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.7 tt0 -38.36 118.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.7 -37.37 3.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -48.36 154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -116.96 133.9 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.25 143.35 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.0 m -93.76 122.85 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD11 HG11 ' A' ' 10' ' ' VAL . 56.5 mt -77.84 145.68 36.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.65 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mt -132.03 150.36 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CD1' ' CE2' ' A' ' 57' ' ' TRP . 7.6 t80 -106.71 147.32 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.06 177.76 46.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' THR . 30.2 tt0 -108.23 159.05 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.533 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 34.4 t-80 -98.08 149.61 22.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.39 46.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 6.9 m -161.68 -72.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.4 p -67.72 -27.33 66.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 80.2 -3.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.19 164.57 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -129.83 136.09 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.8 -169.5 11.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.475 ' CE2' ' CD1' ' A' ' 46' ' ' TYR . 87.3 m95 -111.9 133.9 53.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -143.33 154.81 61.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 22.8 p -49.82 -23.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -31.0 67.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -84.45 9.42 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 HG22 ' A' ' 12' ' ' THR . 25.0 p -145.01 156.25 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HD2' HD13 ' A' ' 13' ' ' ILE . 7.3 mtpt -131.86 154.09 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -118.22 143.34 46.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 35' ' ' LEU . 5.0 m -129.6 154.13 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 131.82 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.653 HG22 HG22 ' A' ' 63' ' ' THR . 70.8 p -74.89 133.61 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.572 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.9 pt -101.46 -6.91 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.2 m-85 -144.5 147.52 36.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -42.45 121.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.13 -32.36 6.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' NE2' ' A' ' 49' ' ' HIS . 21.7 m-20 -53.22 153.12 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -114.79 133.85 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -122.4 141.95 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 52.9 m -94.46 123.51 37.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.37 146.54 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 46' ' ' TYR . 64.5 mt -113.53 -48.78 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 42.0 m95 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.14 149.4 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 21.7 t80 -107.43 140.07 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.44 -176.05 31.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.3 tt0 -121.21 142.85 49.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 21.5 t-80 -83.95 145.84 28.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -92.87 46.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 16.2 m -155.99 -75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 52' ' ' THR . 18.3 p -68.31 -22.34 64.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 72.38 9.98 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.07 148.36 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.33 135.06 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.08 -168.53 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 89.6 m95 -112.22 132.99 54.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -144.1 154.28 57.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.05 125.88 9.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' THR . 9.5 p -51.79 -21.33 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -31.34 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.3 m-30 -82.62 8.41 11.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.653 HG22 HG22 ' A' ' 12' ' ' THR . 36.2 p -144.41 153.59 42.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.12 157.33 44.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 10' ' ' VAL . 2.4 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -135.35 127.07 29.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -138.87 89.41 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.32 -150.52 51.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.24 114.38 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.15 159.96 7.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.25 52.48 4.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mp0 -45.22 169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -118.37 143.64 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.055 HG13 HD11 ' A' ' 35' ' ' LEU . 27.6 m -129.46 154.73 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.4 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' THR . 70.3 p -79.38 127.93 32.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 41.5 pt -97.45 -11.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 23.4 m-85 -143.67 148.24 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.28 39.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -166.25 99.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 m -89.22 155.55 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -64.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 85.15 72.82 1.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.6 t-20 80.5 -55.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -42.27 132.55 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 23.82 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.3 p -112.94 -15.9 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.22 147.6 37.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.889 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.6 tp -91.67 131.18 37.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 p -97.87 122.31 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 16.5 p90 -157.0 177.18 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.93 152.18 35.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -52.0 125.93 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 -34.7 5.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -47.48 150.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.05 134.04 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 137.78 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 94.5 m -91.06 123.45 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.055 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -71.76 150.16 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.662 HD11 ' HD3' ' A' ' 55' ' ' ARG . 50.5 mt -118.68 -47.92 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 pt -100.41 137.61 19.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.44 176.83 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.73 143.89 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -78.63 64.72 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 59.62 58.36 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.32 -44.94 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 49.6 m95 -71.69 150.22 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -128.92 150.27 50.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.5 t80 -106.6 159.59 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -179.53 -174.9 45.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 40.9 tt0 -117.38 139.53 50.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 19.4 t-80 -81.2 135.64 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.96 45.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -156.68 -72.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -67.45 -23.69 65.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt 78.5 -0.7 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.25 153.83 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.662 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.62 137.59 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.889 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -132.9 -170.65 12.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 96.1 m95 -111.62 135.04 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.41 151.59 58.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.96 122.4 7.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' THR . 53.5 p -49.47 -23.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.26 69.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.7 m-85 -85.89 11.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -144.78 152.2 39.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 3.6 mttt -132.36 154.79 49.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.61 134.61 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.44 -178.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -128.32 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.33 158.08 17.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -173.84 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -151.48 73.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.8 p -87.33 137.61 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -149.83 115.08 5.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -55.01 158.07 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.76 149.72 5.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.585 1.178 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.04 101.04 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -151.51 99.69 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.051 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 47.56 29.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -52.67 170.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -118.19 143.72 46.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.008 HG13 HD11 ' A' ' 35' ' ' LEU . 13.6 m -129.26 154.59 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -121.69 137.08 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 63' ' ' THR . 49.4 p -80.57 132.11 35.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.626 HG23 ' HG2' ' A' ' 64' ' ' LYS . 39.1 pt -102.33 -7.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.4 m-85 -148.11 148.48 29.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 152.13 40.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -151.74 134.13 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 m -122.39 141.76 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -74.92 -61.21 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.7 -107.34 2.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.31 -50.0 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.6 160.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.37 53.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.01 -46.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.627 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 66.3 mt -44.07 113.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.8 tp -60.54 123.26 16.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -91.01 125.6 35.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.94 -175.8 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.03 144.35 49.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -44.69 136.52 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.7 -37.4 3.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -47.8 148.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.2 133.9 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.74 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.08 138.31 54.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 55.5 m -90.44 123.45 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.008 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.09 145.21 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -115.53 -45.48 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 5.1 pt -103.11 136.45 19.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -15.51 20.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -94.43 173.47 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -127.52 142.29 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 7.0 tttt -77.78 63.11 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 60.06 58.41 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 101.95 -45.8 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 46.7 m95 -71.66 147.21 47.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.95 150.16 50.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.3 t80 -106.66 160.01 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.39 -175.11 45.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 33.1 tt0 -114.3 139.69 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' HB2' HD21 ' A' ' 25' ' ' LEU . 10.0 t-80 -82.91 135.71 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -87.82 45.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 68.0 m -153.79 -76.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -68.56 -19.33 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt 75.66 3.24 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.85 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.23 -167.79 11.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 88.7 m95 -111.57 134.86 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 151.78 58.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.99 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' THR . 95.8 p -49.53 -23.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -70.8 -31.88 68.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -84.71 8.15 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 12' ' ' THR . 28.9 p -141.75 152.49 43.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.626 ' HG2' HG23 ' A' ' 13' ' ' ILE . 6.5 ptmm? -132.55 155.11 49.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.39 132.91 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 11' ' ' LYS . 4.4 mt -62.1 -168.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p 54.24 64.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.76 -146.03 10.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.95 39.53 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 69.14 124.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.6 p -136.46 103.8 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.85 146.29 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 115.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.98 -151.26 17.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.46 146.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -104.71 130.85 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.83 51.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.69 169.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.28 143.58 46.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 35' ' ' LEU . 5.4 m -129.25 154.79 40.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.12 131.81 54.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 63' ' ' THR . 68.2 p -78.37 128.59 33.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.713 HG23 ' HG2' ' A' ' 64' ' ' LYS . 38.6 pt -99.74 -7.26 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.3 m-85 -145.26 147.01 32.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -74.97 148.93 36.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -165.32 96.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.592 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -85.81 137.62 32.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.6 -48.58 39.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.13 81.83 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.99 -60.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.421 ' CB ' HD12 ' A' ' 24' ' ' LEU . 9.9 m120 -40.89 139.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.18 -24.54 14.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -69.47 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 21' ' ' ASN . 10.3 mt -78.88 161.78 26.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.8 tp -106.65 160.36 15.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -122.03 119.81 32.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.7 p90 -155.74 174.34 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.38 152.47 33.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 49.5 tt0 -53.64 120.15 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.67 -30.53 5.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.41 154.02 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -114.84 134.3 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.76 140.83 51.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 35.1 m -94.09 123.48 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.964 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.19 145.89 47.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -114.98 -49.16 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.8 pt -101.41 135.82 19.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -12.2 21.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.87 170.5 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.27 140.79 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' TRP . 23.6 tptt -80.46 69.0 6.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 59.91 50.65 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.59 -47.07 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 18.6 m95 -67.85 151.34 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.95 150.3 52.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -106.66 153.2 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -172.19 -175.48 40.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 19.9 tt0 -115.85 137.67 51.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.523 ' HB2' HD21 ' A' ' 25' ' ' LEU . 27.5 t-80 -75.24 143.08 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.16 41.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 35.9 m -159.19 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 p -49.56 -24.95 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.65 0.37 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.39 160.87 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.683 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.44 -169.04 12.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -111.81 135.06 52.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.35 151.75 58.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 121.59 6.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 87.6 p -49.4 -23.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -32.22 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.2 m-85 -85.5 11.62 10.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -145.14 152.42 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.713 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.64 159.13 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.76 132.63 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.1 mt -58.11 178.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -162.83 95.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.01 -145.73 19.41 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.2 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -128.26 131.8 48.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.14 -59.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -46.28 125.38 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.84 122.47 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -151.45 116.09 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 62.92 93.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.81 55.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -46.75 168.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -118.57 143.36 46.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 35' ' ' LEU . 15.6 m -129.71 154.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.672 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.37 131.83 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 63' ' ' THR . 72.8 p -75.78 130.24 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.637 HD13 ' HD2' ' A' ' 64' ' ' LYS . 15.5 pt -97.2 -12.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 16.6 m-85 -145.44 147.67 34.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.8 32.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -161.78 79.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.9 m -65.42 146.8 54.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.16 -56.52 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 84.35 72.88 1.28 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.5 t-20 77.29 -58.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -41.48 120.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -11.02 58.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.8 p -68.13 -47.6 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.21 154.65 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.6 tp -103.02 124.47 48.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -89.42 120.91 31.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.048 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' A' ' 12' ' ' THR . 10.2 p90 -155.85 169.79 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.62 156.01 19.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.38 131.88 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 104.32 -32.45 7.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -46.27 151.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.57 133.79 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.21 140.98 51.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 71.7 m -92.24 123.79 35.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -73.15 148.29 44.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.18 -40.08 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.92 136.52 19.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -13.88 21.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.79 178.37 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -130.13 141.05 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 1.1 tmtm? -79.04 63.5 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 60.01 66.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -41.05 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' LYS . 36.1 m95 -75.49 149.64 38.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CB ' ' A' ' 60' ' ' SER . 9.2 mt -129.18 150.54 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -106.32 162.65 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 175.21 -172.8 45.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' THR . 73.4 tt0 -118.57 143.79 46.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.524 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.5 t-80 -83.44 138.47 33.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.72 43.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 43.2 m -156.6 -66.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.2 p -71.15 -24.96 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt 78.41 -0.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 162.54 13.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.8 136.96 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.765 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.02 -170.68 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 96.9 m95 -111.8 134.54 53.3 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -142.93 151.62 56.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.04 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' HD12 ' A' ' 45' ' ' LEU . 63.4 p -49.6 -23.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -30.82 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.0 m-85 -87.46 11.69 14.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 12' ' ' THR . 17.6 p -145.09 152.63 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.637 ' HD2' HD13 ' A' ' 13' ' ' ILE . 11.4 mtpt -130.23 151.6 50.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.51 132.83 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 11' ' ' LYS . 8.8 mt -68.91 171.1 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.78 97.4 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.57 -178.7 41.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.01 34.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.79 154.36 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t 53.59 99.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.93 157.1 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.66 125.48 47.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.13 105.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -174.24 130.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -78.76 157.63 28.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.62 47.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.559 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mm-40 -56.04 163.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -117.88 143.75 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 35' ' ' LEU . 4.3 m -129.51 155.11 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.87 131.79 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 63' ' ' THR . 60.0 p -76.12 127.95 33.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 42.4 pt -96.03 -8.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.0 m-85 -146.4 147.53 31.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.59 38.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -163.13 81.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 m -84.15 142.99 29.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -73.08 -55.23 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.19 -55.43 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.64 -52.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -40.38 138.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 18.71 21.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.9 p -107.23 -51.94 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 7.7 mt -72.97 130.94 41.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.7 tp -72.03 137.62 47.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -104.81 119.84 39.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE1' HG21 ' A' ' 12' ' ' THR . 9.2 p90 -156.64 175.18 14.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.34 144.55 42.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.45 122.38 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.77 -31.05 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.93 153.79 3.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.14 134.23 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.86 138.12 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 51.9 m -93.97 123.59 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -69.91 151.11 46.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -122.56 -44.52 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 39' ' ' GLU . 1.9 pt -102.53 137.72 19.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.42 21.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.1 tp10 -99.02 177.3 5.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.09 142.49 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' TRP . 1.6 ttpt -76.96 65.12 2.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.84 65.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.21 -43.23 2.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 33.7 m95 -72.22 145.71 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -125.16 150.27 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.6 t80 -106.65 158.78 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.29 -172.99 43.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 47.7 tt0 -117.54 141.47 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.1 t-80 -82.39 135.71 35.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.05 45.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 86.3 m -157.87 -69.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -68.1 -24.05 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 78.49 -0.88 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 161.21 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -118.9 137.03 53.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.922 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.21 -169.64 12.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 94.7 m95 -111.71 134.96 52.92 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -142.53 151.69 58.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.1 p -49.21 -23.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -32.16 69.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -84.83 11.11 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -144.04 152.62 41.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 2.4 mttt -131.35 157.02 44.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.5 131.77 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.72 168.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -133.42 83.4 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.77 178.32 24.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -40.75 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.0 m 57.96 88.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.6 m 47.33 86.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 64.6 81.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -79.38 106.92 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.59 92.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.88 166.56 23.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.37 122.17 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.62 53.26 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.68 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.719 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -118.44 143.55 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.957 HG13 HD11 ' A' ' 35' ' ' LEU . 9.0 m -129.34 154.77 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -123.13 131.93 53.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 63' ' ' THR . 77.5 p -78.18 129.53 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 64' ' ' LYS . 37.4 pt -99.73 -7.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.1 m-85 -145.61 146.49 29.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 157.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -161.35 95.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.7 m -67.27 132.68 48.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 24' ' ' LEU . . . -138.96 13.88 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' ALA . . . -36.67 -67.9 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.28 -67.33 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.759 ' ND2' HD12 ' A' ' 24' ' ' LEU . 83.3 m-20 -41.95 143.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -22.96 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -87.49 -10.77 50.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.759 HD12 ' ND2' ' A' ' 21' ' ' ASN . 39.2 mt -107.87 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -94.91 133.03 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 p -100.34 122.56 43.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.21 174.76 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.26 148.1 39.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -48.48 126.68 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.29 -33.75 5.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -48.16 151.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.88 133.64 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.665 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.46 142.01 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 85.6 m -94.2 123.69 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.25 150.02 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -120.35 -46.6 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.2 pt -97.2 137.43 21.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.66 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -94.52 173.88 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -121.62 149.96 42.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -79.02 57.6 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 59.92 50.02 7.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 115.15 -44.63 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 34.2 m95 -77.31 155.91 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -135.86 150.14 49.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 14.3 t80 -106.76 168.16 9.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 172.31 -176.57 45.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' THR . 55.6 tt0 -115.17 139.04 50.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.54 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.7 t-80 -76.12 144.64 40.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -90.63 44.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 8.6 m -161.15 -79.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -55.51 -25.29 36.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.69 1.75 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.06 159.83 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 136.94 52.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.851 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.25 -169.29 12.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -111.74 134.64 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 21.9 p90 -142.77 151.7 57.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 122.55 7.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' THR . 78.7 p -49.62 -23.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -31.27 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -85.68 10.91 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 12' ' ' THR . 30.0 p -145.06 152.53 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 13' ' ' ILE . 2.9 pttp -132.63 160.2 37.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -76.45 133.04 39.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.1 mt -58.95 174.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -131.78 82.17 2.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.78 168.1 37.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.3 2.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -45.98 136.42 6.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.87 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.122 . . . . 0.0 110.988 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -120.35 169.97 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 130.31 39.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.35 96.66 2.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -179.03 146.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -85.29 109.54 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.74 48.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mm100 -54.21 170.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -118.1 143.69 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG13 HD11 ' A' ' 35' ' ' LEU . 3.7 m -129.1 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -120.91 131.79 54.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 36.3 p -75.08 128.95 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.8 pt -97.95 -11.54 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.7 m-85 -144.67 149.2 42.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.02 145.16 31.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -150.73 107.84 3.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -89.92 124.53 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 25' ' ' LEU . . . -97.87 -38.72 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 70.53 47.04 44.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 7.5 t30 79.9 -66.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.574 ' OD1' HD12 ' A' ' 24' ' ' LEU . 1.9 t-20 39.08 -156.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.82 -50.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -115.84 49.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD12 ' OD1' ' A' ' 21' ' ' ASN . 73.7 mt -152.32 135.47 15.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.826 HD13 ' N ' ' A' ' 56' ' ' GLY . 14.3 tp -102.32 151.29 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -115.65 124.35 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p90 -162.96 167.1 23.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 157.02 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -54.22 136.47 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.94 -36.1 4.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -45.62 152.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.724 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.82 133.91 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -122.16 139.69 53.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' GLU . 77.7 m -94.14 123.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.669 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -67.47 148.6 51.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 46' ' ' TYR . 81.9 mt -117.08 -42.59 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pt -111.59 138.32 21.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -12.94 21.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -95.8 171.81 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -131.86 150.72 52.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -79.41 64.8 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.53 29.34 18.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.14 -52.27 0.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 36.5 m95 -64.85 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -121.46 150.03 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 36' ' ' LEU . 21.0 t80 -106.83 146.66 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -167.43 179.71 40.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' THR . 28.2 tt0 -108.39 149.33 28.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.528 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.2 t-80 -89.49 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -88.25 44.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 23.1 m -153.51 -78.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -65.48 -20.32 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.07 1.36 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.05 157.93 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.58 136.39 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.826 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.76 -166.33 11.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -111.94 135.02 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.31 151.66 58.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.1 Cg_endo -75.06 121.0 6.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 63' ' ' THR . 86.8 p -49.74 -23.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -31.06 68.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.8 m-30 -86.18 11.16 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 2.9 p -145.12 152.74 40.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -132.06 157.62 43.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.9 133.83 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.5 mt -59.62 174.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -149.43 91.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.99 -146.61 7.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 61.75 5.73 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -42.85 -59.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.2 m -129.78 107.3 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -52.43 119.7 4.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -49.28 107.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.12 134.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -174.39 112.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 0.763 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.77 114.72 26.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.57 53.36 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.9 169.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -118.45 143.53 46.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.034 HG13 HD11 ' A' ' 35' ' ' LEU . 14.5 m -129.45 154.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -121.59 131.87 54.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -76.99 128.61 34.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.642 HD13 ' HD2' ' A' ' 64' ' ' LYS . 43.5 pt -99.01 -10.2 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.2 m-85 -145.63 149.04 38.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.12 33.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -160.84 76.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.3 m -75.88 135.78 40.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 24' ' ' LEU . . . -90.02 89.03 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -108.63 0.31 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -50.03 -45.72 52.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.815 ' CB ' HD12 ' A' ' 24' ' ' LEU . 71.5 m-80 -48.65 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -47.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.597 ' O ' HD23 ' A' ' 24' ' ' LEU . 12.1 p -81.42 51.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.815 HD12 ' CB ' ' A' ' 21' ' ' ASN . 31.6 mt -149.54 135.87 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.8 tp -82.3 135.23 35.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -99.36 120.74 40.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.0 p90 -158.96 173.48 16.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.49 148.19 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -48.44 131.31 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.59 -34.67 5.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -50.5 151.82 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.9 t -113.67 134.28 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.87 142.66 50.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.8 m -94.26 123.63 37.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.034 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.71 146.88 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 55' ' ' ARG . 55.4 mt -114.66 -49.49 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 39' ' ' GLU . 1.8 pt -99.42 137.22 20.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -13.95 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -94.41 173.2 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -125.86 139.32 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -75.56 65.9 1.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.4 62.13 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.42 -44.16 1.65 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 47.8 m95 -74.77 156.14 36.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -135.99 150.62 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 9.5 t80 -106.5 156.52 18.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.8 -175.37 44.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 45.6 tt0 -117.87 136.28 53.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 9.4 t-80 -76.12 141.21 42.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -93.01 46.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 28.3 m -159.18 -69.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.3 p -68.41 -24.18 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.48 -0.7 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.26 160.89 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -117.97 137.37 52.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.925 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -132.97 -170.33 12.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.6 m95 -111.65 134.89 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 36.0 p90 -142.45 151.77 58.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.2 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.3 p -49.22 -23.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -31.96 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.7 m-30 -85.51 9.99 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 21.5 p -143.07 152.45 41.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.642 ' HD2' HD13 ' A' ' 13' ' ' ILE . 6.7 mtpt -132.38 157.39 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.04 133.46 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.3 mt -58.97 171.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -155.44 95.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.16 -169.96 22.23 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.44 42.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.402 1.738 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -137.9 119.63 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.04 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m 60.44 160.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -102.93 131.92 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -111.06 141.21 44.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.68 60.5 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.44 75.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -157.34 111.56 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.17 55.26 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -44.45 168.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.45 143.43 46.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.947 HG13 HD11 ' A' ' 35' ' ' LEU . 13.7 m -129.56 154.82 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -121.35 132.58 54.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 63' ' ' THR . 62.3 p -75.46 139.34 42.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 14' ' ' PHE . 21.3 pt -107.59 -13.41 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' HG13 ' A' ' 13' ' ' ILE . 33.6 m-85 -145.87 149.04 38.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.94 33.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -156.09 80.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.609 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -85.38 142.52 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.54 -54.81 2.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.99 -57.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.434 HD22 HD11 ' A' ' 24' ' ' LEU . 1.3 m-20 -46.56 157.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.08 0.71 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.2 p -92.62 -0.52 57.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 HD22 ' A' ' 21' ' ' ASN . 6.7 mt -117.71 133.26 56.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.5 tp -78.22 114.98 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 p -81.97 122.11 27.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -154.76 178.81 9.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.59 140.81 51.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -42.5 136.26 2.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.59 -35.05 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -49.99 149.96 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 133.96 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.13 142.11 50.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 25.9 m -94.19 123.65 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -72.34 144.75 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.01 -50.54 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.4 pt -97.3 134.36 22.79 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -8.77 20.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.72 171.62 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -124.31 149.09 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -83.95 70.71 10.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 60.52 38.48 18.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.0 -48.48 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 23.6 m95 -65.16 150.06 48.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 45' ' ' LEU . 9.8 mt -126.02 149.96 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 t80 -106.93 163.4 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 176.17 -178.4 47.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 49.6 tt0 -109.23 147.11 33.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 5.7 t-80 -89.66 136.52 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.4 45.37 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 21.3 m -153.81 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.3 p -74.74 -19.64 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt 75.31 2.11 3.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.17 150.44 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -110.81 136.77 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.869 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.53 -163.85 10.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -111.85 134.86 53.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 20.8 p90 -142.52 151.45 57.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -74.98 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 13.5 t -49.46 -22.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -32.02 69.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -81.5 -6.37 58.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -124.45 154.29 40.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' HG23 ' A' ' 13' ' ' ILE . 9.2 pttp -132.16 160.78 35.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.65 134.04 38.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 11' ' ' LYS . 3.0 mt -61.08 167.62 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.8 p -140.2 89.42 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.0 155.56 30.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 163.21 35.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m 60.31 113.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.38 97.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.09 105.22 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -177.57 143.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.75 167.45 19.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -113.69 -70.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.06 109.57 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.58 46.72 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 35' ' ' LEU . 5.4 mm-40 -52.63 170.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -118.33 143.84 46.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 35' ' ' LEU . 3.6 m -128.95 154.75 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -121.95 131.9 54.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 63' ' ' THR . 71.1 p -76.69 128.02 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 32.6 pt -97.27 -9.49 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.8 m-85 -145.66 148.0 35.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.95 151.07 39.34 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -161.37 92.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -89.26 146.98 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.09 -53.15 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.51 -58.08 5.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.33 -50.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.2 154.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -109.81 -51.13 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -48.96 -38.44 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.22 137.48 46.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -93.68 125.34 38.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -89.75 120.69 31.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.9 p90 -156.03 177.11 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.4 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.65 126.13 25.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.84 -35.5 4.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -50.1 152.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.75 134.59 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -121.48 141.29 51.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 18.1 m -94.16 123.77 37.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 HG13 ' A' ' 10' ' ' VAL . 1.3 mp -71.08 149.7 46.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.4 -47.87 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 pt -97.37 139.07 21.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.4 19.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.554 1.818 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -99.21 -178.53 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.49 165.38 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -98.3 52.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.76 53.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 107.66 -38.26 3.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 37.8 m95 -81.63 151.35 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -132.57 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 57' ' ' TRP . 6.2 t80 -106.64 156.68 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -177.96 -179.85 48.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 24.3 tt0 -110.5 144.96 38.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.67 ' HB2' HD21 ' A' ' 25' ' ' LEU . 38.3 t-80 -83.36 141.02 32.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 4.0 t70 -88.82 43.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 94.5 m -157.52 -84.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -53.7 -22.73 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 1.6 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.2 155.25 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.87 136.85 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.754 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.15 -170.61 12.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 91.9 m95 -111.56 135.01 52.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -142.37 151.45 58.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 123.07 7.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 55.7 p -51.13 -24.62 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -25.98 63.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.528 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -91.97 10.8 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' THR . 17.1 p -145.07 152.62 40.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 5.8 mttt -132.11 156.23 46.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.79 133.4 41.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.8 mt -59.93 170.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -147.27 84.85 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.26 -178.87 6.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.37 35.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.71 142.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 m -116.29 -60.07 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -144.17 137.74 27.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 76.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.67 -93.79 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -81.42 -9.35 59.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.02 117.79 35.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.9 51.19 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -53.59 162.0 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -118.12 143.51 46.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.089 HG13 HD11 ' A' ' 35' ' ' LEU . 18.9 m -129.3 154.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.649 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -122.71 133.63 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.576 HG21 ' CE1' ' A' ' 27' ' ' PHE . 58.3 p -72.99 138.83 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.446 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' CD ' ' A' ' 64' ' ' LYS . 4.2 pt -103.34 -4.79 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -155.08 154.64 29.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.05 29.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -161.16 95.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.0 m -85.9 159.25 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 -61.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.5 -112.19 4.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ASN . 5.0 t30 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.553 ' CG ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.9 -52.3 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.73 -59.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.7 p -47.61 -52.07 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' CG ' ' A' ' 21' ' ' ASN . 12.5 mt -57.05 157.35 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.787 HD23 HD22 ' A' ' 33' ' ' LEU . 10.6 tp -95.65 123.31 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.7 p -85.77 120.21 26.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 12' ' ' THR . 11.0 p90 -156.6 170.36 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 149.02 37.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -48.31 129.07 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.94 -30.68 8.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.6 153.05 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.62 134.6 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.787 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -121.4 143.98 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 55.5 m -94.24 123.91 37.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.089 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -75.53 143.54 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 55' ' ' ARG . 31.5 mt -113.81 -35.73 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.3 pt -96.62 138.77 21.42 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -14.54 21.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -113.91 -178.85 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.02 143.0 51.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' ' CZ3' ' A' ' 57' ' ' TRP . 3.8 mmtt -66.66 -166.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.04 71.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.46 2.47 82.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' LYS . 67.5 m95 -119.5 160.55 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -138.53 150.35 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.6 162.84 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 170.72 -175.44 44.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' THR . 49.0 tt0 -119.69 145.32 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.604 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.7 t-80 -79.67 146.55 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -89.68 43.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 1.1 m -162.9 -77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 44.8 p -53.91 -26.81 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 1.5 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 161.57 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -115.93 137.32 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.783 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -132.92 -171.88 12.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.548 ' CZ3' ' HG3' ' A' ' 41' ' ' LYS . 96.4 m95 -111.69 134.38 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -142.96 151.7 56.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 p -49.3 -23.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -70.33 -31.25 68.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -85.56 11.24 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 12' ' ' THR . 23.8 p -145.18 153.32 41.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 8.1 ptmm? -131.64 152.51 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.62 129.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.649 HD21 ' CB ' ' A' ' 11' ' ' LYS . 11.0 mt -67.83 176.71 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -143.24 88.94 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.05 162.58 11.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.42 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 p -68.08 163.24 22.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 p -121.74 -58.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.86 166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -105.88 8.99 32.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.7 103.11 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 126.77 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -74.67 86.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.55 53.92 0.38 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.78 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -118.38 143.46 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 35' ' ' LEU . 10.1 m -129.59 154.77 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -119.98 131.94 55.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 44.0 p -75.12 128.66 36.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 pt -97.32 -3.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -154.65 153.75 28.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.15 34.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -140.52 134.57 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 m -130.73 140.14 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 24' ' ' LEU . . . -80.87 89.86 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 18' ' ' ALA . . . -54.54 -108.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -48.4 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.511 ' HB2' HD21 ' A' ' 24' ' ' LEU . 27.0 m-20 -55.56 156.41 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -124.11 83.03 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 HG23 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -172.49 -40.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -48.86 108.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 56' ' ' GLY . 15.7 tp -57.38 112.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.37 138.53 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 11.9 p90 -174.35 -177.89 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.01 148.13 47.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -50.02 125.83 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.06 -31.89 6.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.13 152.34 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -112.62 133.89 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -122.14 140.78 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.1 m -94.13 123.29 37.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.915 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.36 144.33 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 55' ' ' ARG . 58.2 mt -112.36 -45.87 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt -102.89 137.38 19.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.37 20.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 177.08 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -128.02 141.23 51.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -80.34 63.15 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 57.68 70.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.84 3.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 54.1 m95 -78.69 152.74 31.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -134.89 150.34 50.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.4 t80 -106.45 158.43 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.04 -172.99 41.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 42.5 tt0 -119.91 143.02 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.443 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 36.0 t-80 -85.15 134.61 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -87.93 46.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.443 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 24.3 m -156.97 -67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -72.03 -24.12 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.53 -0.42 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.77 159.17 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -119.77 137.0 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.22 -167.82 11.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 86.3 m95 -111.72 134.89 52.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -142.39 151.62 58.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 121.71 6.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 50.6 p -49.38 -23.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.18 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.5 m-85 -84.46 11.0 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 11.3 p -145.01 152.21 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 mttt -132.55 158.76 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.09 133.59 41.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.1 mt -60.48 175.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -140.51 87.99 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.5 158.46 29.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.05 9.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -142.14 81.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.83 -59.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 96.52 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.3 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.24 150.62 26.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -134.1 147.82 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.64 147.13 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.85 61.3 7.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -59.24 163.02 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -118.0 143.7 46.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.994 HG13 HD11 ' A' ' 35' ' ' LEU . 11.1 m -129.5 154.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -122.99 132.29 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.803 HG21 ' CD1' ' A' ' 27' ' ' PHE . 60.3 p -76.32 132.03 39.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 21.7 pt -97.75 -10.29 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 21.4 m-85 -142.6 147.66 43.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.21 42.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' NE2' HD13 ' A' ' 24' ' ' LEU . 11.3 t60 -147.02 173.78 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.9 m -145.62 137.69 25.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.31 -17.94 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -38.46 138.54 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.3 t-20 80.42 -67.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -52.3 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.7 46.88 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.03 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD13 ' NE2' ' A' ' 16' ' ' HIS . 86.5 mt -58.51 150.3 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.7 tp -100.34 157.82 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.84 125.54 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CD1' HG21 ' A' ' 12' ' ' THR . 27.5 p90 -165.05 156.06 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.54 170.34 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -70.29 116.16 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 117.02 -31.23 5.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.89 150.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.23 133.78 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 144.72 48.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.1 m -94.06 123.59 37.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.02 144.57 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.34 -43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 39' ' ' GLU . 46.7 pt -77.52 156.58 80.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -18.6 18.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.887 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.8 pm0 -176.92 170.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 163.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -132.37 12.32 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 20.9 t70 173.73 39.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.65 -3.27 64.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 9.6 m95 -118.35 147.59 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.95 149.98 28.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 18.2 t80 -106.85 163.86 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 178.34 -174.24 46.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 34.6 tt0 -115.43 152.74 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.6 t-80 -92.98 137.64 32.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.74 45.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 17.3 m -157.33 -72.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 p -66.39 -23.49 66.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.67 1.69 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.15 160.74 14.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -117.79 137.14 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.673 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.04 -170.88 12.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 75.1 m95 -111.5 134.64 52.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.9 151.8 57.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.93 124.87 8.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' THR . 91.7 p -49.87 -24.7 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -30.42 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.3 m-85 -84.76 9.74 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.639 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -145.16 152.88 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -131.07 151.44 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.66 130.62 36.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.659 HD21 ' CB ' ' A' ' 11' ' ' LYS . 11.5 mt -66.74 170.48 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -134.71 95.51 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.31 155.13 16.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 156.56 43.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.3 t -97.66 133.78 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.0 m -52.74 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -131.02 141.02 50.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p 44.36 83.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.16 133.9 3.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -141.95 103.9 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -156.18 100.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.16 52.36 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.18 162.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -118.1 143.34 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.836 HG13 HD11 ' A' ' 35' ' ' LEU . 22.4 m -129.59 154.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -122.45 132.14 54.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 63' ' ' THR . 63.0 p -74.64 133.77 42.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.451 HD13 ' HD2' ' A' ' 64' ' ' LYS . 18.3 pt -99.13 -9.38 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 36.1 m-85 -147.7 151.44 39.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.06 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -160.26 91.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.5 m -67.17 134.93 52.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -134.29 12.26 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -36.84 138.05 0.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 80.46 -68.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -43.85 144.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 -23.61 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -77.28 -17.56 58.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -115.03 142.87 46.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 56' ' ' GLY . 8.6 tp -94.31 134.89 36.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 p -101.76 121.07 41.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 15.1 p90 -153.18 176.27 12.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.26 152.19 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.71 133.48 25.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.14 -30.19 10.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -51.0 151.86 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.95 134.19 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.98 139.36 53.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 43.8 m -93.92 123.65 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.836 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -72.34 149.53 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.4 mt -120.68 -49.11 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt -97.69 136.11 21.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.41 21.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.07 176.23 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -133.4 138.18 46.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -70.53 66.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 54.9 52.88 11.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.3 -50.01 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' LYS . 28.7 m95 -67.85 147.33 52.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.95 150.21 48.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -106.62 160.81 15.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 179.23 -174.88 46.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' THR . 58.3 tt0 -115.8 139.71 49.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' HB2' HD21 ' A' ' 25' ' ' LEU . 8.7 t-80 -82.92 135.32 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.04 45.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 62.5 m -153.4 -75.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -71.14 -18.95 62.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt 74.5 3.72 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.28 149.33 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 136.83 47.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.807 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.55 -168.19 11.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.163 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 97.3 m95 -111.81 134.69 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -142.72 151.51 57.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 121.76 6.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 52.0 p -49.64 -24.07 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.2 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.4 m-85 -83.55 9.74 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 12' ' ' THR . 24.0 p -145.05 152.9 40.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HD2' HD13 ' A' ' 13' ' ' ILE . 3.3 mtpt -129.8 153.26 48.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.51 129.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD21 ' CB ' ' A' ' 11' ' ' LYS . 12.7 mt -65.39 171.95 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 m -155.02 89.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.67 146.87 9.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 64.71 6.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 93.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -84.44 142.27 30.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -100.85 155.35 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -157.31 128.89 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.2 144.52 16.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 p -78.0 112.24 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -172.12 150.84 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 54.62 1.82 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -45.24 169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -117.11 143.86 45.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 35' ' ' LEU . 2.7 m -128.98 154.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -124.44 130.48 52.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 63' ' ' THR . 51.2 p -76.39 127.34 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 26.5 pt -95.04 -9.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.9 m-85 -144.95 149.53 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.45 36.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 49.6 t-80 -158.87 86.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.9 m -77.73 145.63 36.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.16 -51.06 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -124.46 6.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.97 -51.97 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -57.01 130.41 45.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -27.59 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 23' ' ' THR . 43.4 p -55.19 -51.55 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.379 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.05 142.25 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.9 tp -88.84 130.87 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -94.12 121.7 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 12' ' ' THR . 8.5 p90 -157.43 164.54 37.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.67 168.2 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -71.59 114.68 9.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.08 -27.93 5.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.27 152.59 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.81 134.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -121.9 143.5 49.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.4 m -94.62 124.05 38.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -69.55 144.92 52.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -40.37 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 39' ' ' GLU . 2.3 pt -104.89 137.81 19.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.3 21.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.1 mm-40 -102.08 172.65 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.47 139.69 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -65.16 -163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 65.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . 90.56 5.36 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 41' ' ' LYS . 24.5 m95 -117.43 157.66 25.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 60' ' ' SER . 4.2 mt -134.5 149.79 50.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -107.06 155.94 19.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.7 179.18 48.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 65.1 tt0 -107.23 150.62 26.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.526 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.0 t-80 -89.97 143.35 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.591 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -87.5 45.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 3.6 m -159.64 -93.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.501 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -48.38 -24.27 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.85 6.01 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 151.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 136.72 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.844 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.62 -165.75 11.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.573 1.17 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 41' ' ' LYS . 95.0 m95 -111.85 134.4 53.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.91 153.19 60.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.04 119.03 5.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.423 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 p -49.38 -23.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -30.02 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 3.6 m-85 -84.73 7.9 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -142.76 151.42 41.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 13' ' ' ILE . 14.6 mttm -133.76 156.01 48.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -68.45 130.8 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD12 ' HA3' ' A' ' 72' ' ' GLY . 1.8 mt -55.22 171.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.3 93.22 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.47 169.58 25.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.06 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -140.01 91.59 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t 68.44 156.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.692 ' HA3' HD12 ' A' ' 66' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 -50.77 8.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.94 82.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.79 -130.12 1.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -139.22 -97.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.3 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.84 47.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mm100 -58.01 168.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -118.22 143.31 46.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.075 HG13 HD11 ' A' ' 35' ' ' LEU . 21.1 m -129.65 154.53 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.627 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -123.34 139.85 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 63' ' ' THR . 43.1 p -82.88 128.79 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 19.4 pt -96.0 -7.56 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.6 m-85 -148.0 151.25 37.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.93 30.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -154.61 94.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 t -73.58 157.57 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.26 9.21 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -37.52 138.12 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 3.4 t30 79.03 -62.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.07 179.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -131.65 -62.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -44.51 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.39 143.55 51.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.749 HD13 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -101.42 134.02 45.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 p -95.1 121.52 36.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 13.3 p90 -157.43 176.77 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.25 147.61 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -46.02 134.29 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.34 10.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 151.07 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -116.44 134.1 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -121.98 138.13 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 88.6 m -89.04 123.49 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.075 HD11 HG13 ' A' ' 10' ' ' VAL . 1.2 mp -71.55 148.52 46.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.926 HD23 ' O ' ' A' ' 35' ' ' LEU . 11.1 mt -145.52 43.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.51 HD11 ' H ' ' A' ' 46' ' ' TYR . 2.4 pt -144.29 161.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.41 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 111.035 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -154.91 160.15 40.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.9 165.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 51.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.63 32.97 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 -47.42 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -81.24 162.14 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' CB ' ' A' ' 60' ' ' SER . 1.9 mt -141.56 148.08 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 32.1 t80 -109.11 171.72 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 160.03 179.39 34.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.23 151.7 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.703 ' HB2' HD21 ' A' ' 25' ' ' LEU . 6.8 t-80 -90.39 139.87 30.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -85.49 47.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 18.5 m -158.42 -76.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 52' ' ' THR . 19.7 p -69.35 -17.68 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt 72.16 6.0 5.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.32 153.23 17.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -109.86 136.75 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.749 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.71 -170.44 12.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 60.4 m95 -111.67 134.7 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -142.64 151.87 58.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.896 ' CB ' HD12 ' A' ' 45' ' ' LEU . 58.5 p -50.86 -24.45 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -26.56 63.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -90.91 10.18 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 12' ' ' THR . 39.0 p -145.11 152.66 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.41 150.8 52.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.7 129.07 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD21 ' CB ' ' A' ' 11' ' ' LYS . 13.4 mt -65.2 171.25 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 88.21 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.33 163.9 54.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.127 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -91.2 146.08 24.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -174.3 145.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -142.12 149.09 39.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -111.64 149.89 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.76 120.16 0.35 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -133.1 143.67 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -118.87 163.36 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 50.95 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -53.91 169.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -118.03 144.08 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.999 HG13 HD11 ' A' ' 35' ' ' LEU . 23.7 m -127.11 154.67 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -123.62 131.71 53.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.844 HG21 ' CD1' ' A' ' 27' ' ' PHE . 71.3 p -78.85 127.95 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 64' ' ' LYS . 31.5 pt -100.64 -3.5 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.3 m-85 -144.75 148.5 39.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 141.57 26.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -158.22 109.81 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -108.87 142.78 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.83 89.33 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -85.55 105.35 2.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 6.6 t30 80.98 -59.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -53.34 164.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -120.7 -54.73 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -39.68 -54.24 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' H ' HG23 ' A' ' 23' ' ' THR . 13.4 mt -55.06 136.54 47.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 ' HB2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -78.54 -177.95 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.716 ' H ' HD13 ' A' ' 25' ' ' LEU . 21.8 p -137.91 122.07 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.844 ' CD1' HG21 ' A' ' 12' ' ' THR . 36.2 p90 -160.02 169.72 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.07 144.49 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.54 118.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.86 -37.04 3.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -49.65 153.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.05 134.27 61.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.92 142.38 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.5 m -94.28 123.72 37.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.999 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -70.27 148.88 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 55' ' ' ARG . 33.5 mt -117.19 -44.42 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 41.7 pt -106.25 136.93 19.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.99 -15.21 20.9 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.87 176.15 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -127.78 142.22 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' TRP . 13.3 tttt -80.65 67.26 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.56 60.84 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.46 -40.49 2.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 39.0 m95 -74.48 154.71 38.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.1 150.51 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 t80 -106.51 159.87 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.11 -172.43 42.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 27.5 tt0 -123.76 141.63 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.774 ' HB2' HD11 ' A' ' 25' ' ' LEU . 49.6 t-80 -81.76 139.81 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.29 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.6 m -154.01 -71.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 p -67.59 -20.94 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 72.94 4.84 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.34 167.2 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -123.95 136.39 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.96 -173.89 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 90.9 m95 -111.83 133.88 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 6.4 p90 -143.34 155.15 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.92 125.39 9.34 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.8 p -51.24 -24.26 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -27.37 63.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.2 m-85 -88.27 9.32 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.645 HG22 HG22 ' A' ' 12' ' ' THR . 26.5 p -145.27 152.01 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -133.26 150.47 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.07 130.84 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -55.83 171.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -156.56 98.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.35 -162.6 38.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.76 6.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -122.71 117.83 26.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.56 154.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.89 -58.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.34 129.08 52.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.64 -169.69 26.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 103.49 12.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.769 . . . . 0.0 109.973 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -122.76 156.89 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.83 49.67 2.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.1 170.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -116.99 143.89 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.027 ' CG1' HD11 ' A' ' 35' ' ' LEU . 31.1 m -128.3 154.7 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.05 131.49 53.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 p -74.79 134.21 41.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.861 HD13 ' HD2' ' A' ' 64' ' ' LYS . 27.8 pt -104.8 -5.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 29.8 m-85 -148.27 150.1 33.77 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.82 31.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -151.68 93.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.7 m -68.14 135.5 52.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -141.88 15.77 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 18' ' ' ALA . . . -36.07 -76.68 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -51.94 -66.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -40.34 144.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.435 HG23 ' HG3' ' A' ' 22' ' ' LYS . 23.4 p -84.23 3.55 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -121.06 142.01 50.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.9 tp -89.71 124.32 34.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 30.1 p -93.87 121.26 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 16.7 p90 -152.24 179.2 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.09 151.29 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -48.68 122.92 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.59 -35.42 4.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -47.94 152.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -117.13 133.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 142.72 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.8 m -93.61 123.19 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.027 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.68 140.42 53.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.63 -27.46 8.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 19.7 pt -112.44 138.55 21.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -29.24 8.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -168.31 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.678 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -132.18 164.66 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 13.4 tttp -90.03 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.9 t0 75.24 32.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.93 -32.32 1.92 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.549 ' O ' HD22 ' A' ' 45' ' ' LEU . 18.7 m95 -110.37 137.78 47.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD21 ' CB ' ' A' ' 40' ' ' GLU . 4.0 mm? -121.25 149.96 42.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -106.88 138.73 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -156.39 -176.3 28.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' THR . 21.5 tt0 -114.24 135.91 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.613 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 16.4 t-80 -78.28 137.54 38.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -98.81 50.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.613 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -155.78 -44.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.84 -18.68 13.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 79.44 -2.84 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.36 147.55 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.84 136.53 52.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.981 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.76 -167.1 11.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.74 135.21 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 4.8 p90 -142.45 151.55 58.03 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.05 121.31 6.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.54 -23.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.75 67.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.532 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -86.95 11.21 14.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.8 p -145.3 151.57 38.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.861 ' HD2' HD13 ' A' ' 13' ' ' ILE . 45.9 mtpt -133.45 154.23 50.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.712 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.23 130.99 44.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 171.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.0 p -146.07 79.04 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.97 -145.52 15.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.98 30.11 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.7 t -121.84 105.87 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -136.12 -58.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 t -82.04 115.15 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.51 155.99 27.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -12.94 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -127.79 144.72 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.01 52.01 0.08 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -56.05 159.07 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -118.07 143.47 46.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 35' ' ' LEU . 20.9 m -129.52 154.75 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -119.45 131.96 55.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.91 HG21 ' CD1' ' A' ' 27' ' ' PHE . 68.1 p -75.29 133.86 41.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD13 ' HD2' ' A' ' 64' ' ' LYS . 16.7 pt -101.93 -11.23 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 13' ' ' ILE . 31.7 m-85 -144.9 149.6 43.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.03 150.4 37.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -171.29 84.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -87.36 138.9 31.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 25' ' ' LEU . . . -65.72 -60.75 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 64.12 97.43 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.8 t-20 80.2 -55.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -49.9 169.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -126.94 -57.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.117 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' LYS . 79.8 p -38.9 -54.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.06 140.89 43.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.858 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -76.93 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.615 ' H ' HD13 ' A' ' 25' ' ' LEU . 83.7 p -167.37 119.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.91 ' CD1' HG21 ' A' ' 12' ' ' THR . 30.5 p90 -156.24 175.58 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . -123.22 139.02 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.7 tt0 -38.36 118.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.7 -37.37 3.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -48.36 154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -116.96 133.9 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.25 143.35 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.0 m -93.76 122.85 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD11 HG11 ' A' ' 10' ' ' VAL . 56.5 mt -77.84 145.68 36.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.65 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.2 pt -97.75 135.51 21.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -15.02 20.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' O ' HD23 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -91.01 168.72 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.48 143.83 50.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -78.29 64.34 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 60.04 42.1 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.43 -51.13 0.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' LYS . 43.2 m95 -67.89 152.48 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 39' ' ' GLU . 10.8 mt -132.03 150.36 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CD1' ' CE2' ' A' ' 57' ' ' TRP . 7.6 t80 -106.71 147.32 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.06 177.76 46.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' THR . 30.2 tt0 -108.23 159.05 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.777 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.4 t-80 -98.08 149.61 22.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.39 46.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 6.9 m -161.68 -72.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.4 p -67.72 -27.33 66.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 80.2 -3.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.19 164.57 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -129.83 136.09 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.8 -169.5 11.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 87.3 m95 -111.9 133.9 53.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -143.33 154.81 61.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 22.8 p -49.82 -23.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -31.0 67.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -84.45 9.42 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 HG22 ' A' ' 12' ' ' THR . 25.0 p -145.01 156.25 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HD2' HD13 ' A' ' 13' ' ' ILE . 7.3 mtpt -131.86 154.09 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.83 131.98 37.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 11' ' ' LYS . 4.5 mt -63.16 174.47 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -148.58 93.26 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.13 153.7 7.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.44 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 t -161.52 126.3 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 p -123.21 163.6 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -155.21 102.94 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 53.81 98.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.18 116.29 4.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.85 105.97 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -128.68 94.2 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.61 52.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.4 mm-40 -57.47 161.64 3.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -118.22 143.34 46.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 35' ' ' LEU . 5.0 m -129.6 154.13 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.589 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -120.6 131.82 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.107 HG21 ' CD2' ' A' ' 27' ' ' PHE . 70.8 p -74.89 133.61 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.572 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.9 pt -101.46 -6.91 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.2 m-85 -144.5 147.52 36.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.02 143.05 28.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -164.72 101.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.636 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -97.56 140.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.1 -52.34 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.59 -124.56 36.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -42.55 -56.56 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.22 135.48 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.13 3.4 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -92.22 -48.18 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD22 ' CZ3' ' A' ' 44' ' ' TRP . 9.8 mt -76.78 156.76 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD13 ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -89.38 174.3 7.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.751 ' H ' HD13 ' A' ' 25' ' ' LEU . 35.4 p -130.75 119.89 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.107 ' CD2' HG21 ' A' ' 12' ' ' THR . 37.3 p90 -153.05 161.5 42.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.82 144.14 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -42.45 121.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.13 -32.36 6.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' NE2' ' A' ' 49' ' ' HIS . 21.7 m-20 -53.22 153.12 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -114.79 133.85 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -122.4 141.95 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 52.9 m -94.46 123.51 37.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.37 146.54 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 46' ' ' TYR . 64.5 mt -113.53 -48.78 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.7 pt -107.15 136.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -92.19 170.99 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.53 140.49 52.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TRP . 13.9 tttp -78.97 66.38 4.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 60.31 44.55 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.42 -49.83 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 42.0 m95 -67.3 149.52 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 11.5 mt -128.14 149.4 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 21.7 t80 -107.43 140.07 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.44 -176.05 31.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.3 tt0 -121.21 142.85 49.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB2' HD11 ' A' ' 25' ' ' LEU . 21.5 t-80 -83.95 145.84 28.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -92.87 46.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 16.2 m -155.99 -75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 52' ' ' THR . 18.3 p -68.31 -22.34 64.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 72.38 9.98 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.07 148.36 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.33 135.06 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' N ' HD23 ' A' ' 25' ' ' LEU . . . -135.08 -168.53 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 89.6 m95 -112.22 132.99 54.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -144.1 154.28 57.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.05 125.88 9.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' THR . 9.5 p -51.79 -21.33 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -31.34 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.3 m-30 -82.62 8.41 11.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.653 HG22 HG22 ' A' ' 12' ' ' THR . 36.2 p -144.41 153.59 42.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.12 157.33 44.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 10' ' ' VAL . 2.4 mt -79.0 128.84 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.589 HD21 ' CB ' ' A' ' 11' ' ' LYS . 13.9 mt -62.86 170.24 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.2 p -125.79 87.74 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.52 -145.03 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 91.48 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -84.88 154.96 21.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -107.92 95.78 5.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 110.977 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -118.37 143.64 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.055 HG13 HD11 ' A' ' 35' ' ' LEU . 27.6 m -129.46 154.73 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.4 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' THR . 70.3 p -79.38 127.93 32.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 41.5 pt -97.45 -11.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 23.4 m-85 -143.67 148.24 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -52.0 125.93 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 -34.7 5.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -47.48 150.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.05 134.04 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 137.78 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 94.5 m -91.06 123.45 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.055 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -71.76 150.16 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.662 HD11 ' HD3' ' A' ' 55' ' ' ARG . 50.5 mt -118.68 -47.92 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 49.6 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -128.92 150.27 50.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.5 t80 -106.6 159.59 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -179.53 -174.9 45.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 40.9 tt0 -117.38 139.53 50.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.2 135.64 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.96 45.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -156.68 -72.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -67.45 -23.69 65.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt 78.5 -0.7 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.25 153.83 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.662 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.62 137.59 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.9 -170.65 12.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.1 m95 -111.62 135.04 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.41 151.59 58.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.96 122.4 7.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' THR . 53.5 p -49.47 -23.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.26 69.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.7 m-85 -85.89 11.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -144.78 152.2 39.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 3.6 mttt -132.36 154.79 49.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -118.19 143.72 46.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.008 HG13 HD11 ' A' ' 35' ' ' LEU . 13.6 m -129.26 154.59 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 137.08 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 63' ' ' THR . 49.4 p -80.57 132.11 35.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.626 HG23 ' HG2' ' A' ' 64' ' ' LYS . 39.1 pt -102.33 -7.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.4 m-85 -148.11 148.48 29.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -44.69 136.52 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.7 -37.4 3.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -47.8 148.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.2 133.9 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.08 138.31 54.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 55.5 m -90.44 123.45 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.008 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.09 145.21 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -115.53 -45.48 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 46.7 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.95 150.16 50.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.3 t80 -106.66 160.01 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.39 -175.11 45.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 33.1 tt0 -114.3 139.69 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.494 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.0 t-80 -82.91 135.71 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -87.82 45.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 68.0 m -153.79 -76.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -68.56 -19.33 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt 75.66 3.24 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.23 -167.79 11.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 88.7 m95 -111.57 134.86 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 151.78 58.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.99 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' THR . 95.8 p -49.53 -23.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -70.8 -31.88 68.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -84.71 8.15 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 12' ' ' THR . 28.9 p -141.75 152.49 43.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.626 ' HG2' HG23 ' A' ' 13' ' ' ILE . 6.5 ptmm? -132.55 155.11 49.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.28 143.58 46.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 35' ' ' LEU . 5.4 m -129.25 154.79 40.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.12 131.81 54.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 63' ' ' THR . 68.2 p -78.37 128.59 33.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.713 HG23 ' HG2' ' A' ' 64' ' ' LYS . 38.6 pt -99.74 -7.26 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.3 m-85 -145.26 147.01 32.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 49.5 tt0 -53.64 120.15 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.67 -30.53 5.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.41 154.02 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -114.84 134.3 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.76 140.83 51.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 35.1 m -94.09 123.48 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.964 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.19 145.89 47.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -114.98 -49.16 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.8 pt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 18.6 m95 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.95 150.3 52.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -106.66 153.2 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -172.19 -175.48 40.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 19.9 tt0 -115.85 137.67 51.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 27.5 t-80 -75.24 143.08 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.16 41.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 35.9 m -159.19 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 p -49.56 -24.95 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.65 0.37 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.39 160.87 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.44 -169.04 12.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -111.81 135.06 52.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.35 151.75 58.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 121.59 6.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 87.6 p -49.4 -23.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -32.22 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.2 m-85 -85.5 11.62 10.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -145.14 152.42 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.713 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.64 159.13 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -118.57 143.36 46.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 35' ' ' LEU . 15.6 m -129.71 154.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -124.37 131.83 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 63' ' ' THR . 72.8 p -75.78 130.24 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.637 HD13 ' HD2' ' A' ' 64' ' ' LYS . 15.5 pt -97.2 -12.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 16.6 m-85 -145.44 147.67 34.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.38 131.88 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 104.32 -32.45 7.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -46.27 151.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.57 133.79 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.21 140.98 51.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 71.7 m -92.24 123.79 35.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -73.15 148.29 44.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.18 -40.08 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CB ' ' A' ' 60' ' ' SER . 9.2 mt -129.18 150.54 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -106.32 162.65 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 175.21 -172.8 45.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' THR . 73.4 tt0 -118.57 143.79 46.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.524 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.5 t-80 -83.44 138.47 33.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.72 43.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 43.2 m -156.6 -66.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.2 p -71.15 -24.96 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt 78.41 -0.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 162.54 13.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.8 136.96 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.02 -170.68 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.8 134.54 53.3 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -142.93 151.62 56.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.04 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' HD12 ' A' ' 45' ' ' LEU . 63.4 p -49.6 -23.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -30.82 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.0 m-85 -87.46 11.69 14.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 12' ' ' THR . 17.6 p -145.09 152.63 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.637 ' HD2' HD13 ' A' ' 13' ' ' ILE . 11.4 mtpt -130.23 151.6 50.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.559 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mm-40 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -117.88 143.75 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 35' ' ' LEU . 4.3 m -129.51 155.11 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.87 131.79 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 63' ' ' THR . 60.0 p -76.12 127.95 33.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 42.4 pt -96.03 -8.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.0 m-85 -146.4 147.53 31.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.45 122.38 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.77 -31.05 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.93 153.79 3.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.14 134.23 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.86 138.12 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 51.9 m -93.97 123.59 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -69.91 151.11 46.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -122.56 -44.52 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 33.7 m95 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -125.16 150.27 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.6 t80 -106.65 158.78 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.29 -172.99 43.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 47.7 tt0 -117.54 141.47 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.1 t-80 -82.39 135.71 35.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.05 45.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 86.3 m -157.87 -69.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -68.1 -24.05 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 78.49 -0.88 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 161.21 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -118.9 137.03 53.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.21 -169.64 12.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 94.7 m95 -111.71 134.96 52.92 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -142.53 151.69 58.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.1 p -49.21 -23.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -32.16 69.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -84.83 11.11 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -144.04 152.62 41.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 2.4 mttt -131.35 157.02 44.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -118.44 143.55 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.957 HG13 HD11 ' A' ' 35' ' ' LEU . 9.0 m -129.34 154.77 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.13 131.93 53.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 63' ' ' THR . 77.5 p -78.18 129.53 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 64' ' ' LYS . 37.4 pt -99.73 -7.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.1 m-85 -145.61 146.49 29.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -48.48 126.68 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.29 -33.75 5.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -48.16 151.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.88 133.64 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD11 ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -122.46 142.01 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 85.6 m -94.2 123.69 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.25 150.02 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -120.35 -46.6 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.2 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 34.2 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -135.86 150.14 49.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 14.3 t80 -106.76 168.16 9.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 172.31 -176.57 45.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' THR . 55.6 tt0 -115.17 139.04 50.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.54 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.7 t-80 -76.12 144.64 40.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -90.63 44.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 8.6 m -161.15 -79.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -55.51 -25.29 36.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.69 1.75 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.06 159.83 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 136.94 52.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.25 -169.29 12.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -111.74 134.64 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 21.9 p90 -142.77 151.7 57.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 122.55 7.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' THR . 78.7 p -49.62 -23.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -31.27 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -85.68 10.91 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 12' ' ' THR . 30.0 p -145.06 152.53 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 13' ' ' ILE . 2.9 pttp -132.63 160.2 37.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mm100 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -118.1 143.69 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.669 HG13 HD11 ' A' ' 35' ' ' LEU . 3.7 m -129.1 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.91 131.79 54.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 36.3 p -75.08 128.95 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.8 pt -97.95 -11.54 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.7 m-85 -144.67 149.2 42.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -54.22 136.47 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.94 -36.1 4.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -45.62 152.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.724 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.82 133.91 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -122.16 139.69 53.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' GLU . 77.7 m -94.14 123.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.669 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -67.47 148.6 51.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 46' ' ' TYR . 81.9 mt -117.08 -42.59 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 36.5 m95 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -121.46 150.03 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 36' ' ' LEU . 21.0 t80 -106.83 146.66 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -167.43 179.71 40.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' THR . 28.2 tt0 -108.39 149.33 28.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.528 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.2 t-80 -89.49 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -88.25 44.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 23.1 m -153.51 -78.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -65.48 -20.32 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.07 1.36 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.05 157.93 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.58 136.39 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.76 -166.33 11.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -111.94 135.02 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.31 151.66 58.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.1 Cg_endo -75.06 121.0 6.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 63' ' ' THR . 86.8 p -49.74 -23.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -31.06 68.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.8 m-30 -86.18 11.16 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 2.9 p -145.12 152.74 40.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -132.06 157.62 43.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -118.45 143.53 46.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.034 HG13 HD11 ' A' ' 35' ' ' LEU . 14.5 m -129.45 154.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.59 131.87 54.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -76.99 128.61 34.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.642 HD13 ' HD2' ' A' ' 64' ' ' LYS . 43.5 pt -99.01 -10.2 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.2 m-85 -145.63 149.04 38.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -48.44 131.31 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.59 -34.67 5.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -50.5 151.82 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.9 t -113.67 134.28 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.87 142.66 50.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.8 m -94.26 123.63 37.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.034 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.71 146.88 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 55' ' ' ARG . 55.4 mt -114.66 -49.49 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 47.8 m95 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -135.99 150.62 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 9.5 t80 -106.5 156.52 18.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.8 -175.37 44.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 45.6 tt0 -117.87 136.28 53.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 9.4 t-80 -76.12 141.21 42.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -93.01 46.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 28.3 m -159.18 -69.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.3 p -68.41 -24.18 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.48 -0.7 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.26 160.89 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -117.97 137.37 52.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.97 -170.33 12.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.6 m95 -111.65 134.89 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 36.0 p90 -142.45 151.77 58.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.2 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.3 p -49.22 -23.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -31.96 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.7 m-30 -85.51 9.99 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 21.5 p -143.07 152.45 41.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.642 ' HD2' HD13 ' A' ' 13' ' ' ILE . 6.7 mtpt -132.38 157.39 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.45 143.43 46.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.947 HG13 HD11 ' A' ' 35' ' ' LEU . 13.7 m -129.56 154.82 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.35 132.58 54.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 63' ' ' THR . 62.3 p -75.46 139.34 42.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 14' ' ' PHE . 21.3 pt -107.59 -13.41 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' HG13 ' A' ' 13' ' ' ILE . 33.6 m-85 -145.87 149.04 38.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -42.5 136.26 2.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.59 -35.05 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -49.99 149.96 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 133.96 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.13 142.11 50.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 25.9 m -94.19 123.65 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -72.34 144.75 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.01 -50.54 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.4 pt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 23.6 m95 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 45' ' ' LEU . 9.8 mt -126.02 149.96 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 t80 -106.93 163.4 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 176.17 -178.4 47.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 49.6 tt0 -109.23 147.11 33.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 5.7 t-80 -89.66 136.52 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.4 45.37 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 21.3 m -153.81 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.3 p -74.74 -19.64 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt 75.31 2.11 3.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.17 150.44 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -110.81 136.77 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.528 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.53 -163.85 10.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -111.85 134.86 53.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.483 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 20.8 p90 -142.52 151.45 57.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -74.98 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 13.5 t -49.46 -22.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -32.02 69.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -81.5 -6.37 58.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -124.45 154.29 40.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' HG23 ' A' ' 13' ' ' ILE . 9.2 pttp -132.16 160.78 35.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 35' ' ' LEU . 5.4 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -118.33 143.84 46.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 35' ' ' LEU . 3.6 m -128.95 154.75 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.95 131.9 54.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 63' ' ' THR . 71.1 p -76.69 128.02 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 32.6 pt -97.27 -9.49 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.8 m-85 -145.66 148.0 35.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.65 126.13 25.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.84 -35.5 4.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -50.1 152.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.75 134.59 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.48 141.29 51.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 18.1 m -94.16 123.77 37.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 HG13 ' A' ' 10' ' ' VAL . 1.3 mp -71.08 149.7 46.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.4 -47.87 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 37.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -132.57 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 57' ' ' TRP . 6.2 t80 -106.64 156.68 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -177.96 -179.85 48.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 24.3 tt0 -110.5 144.96 38.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.434 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 38.3 t-80 -83.36 141.02 32.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 4.0 t70 -88.82 43.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 94.5 m -157.52 -84.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -53.7 -22.73 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 1.6 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.2 155.25 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.87 136.85 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.15 -170.61 12.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 91.9 m95 -111.56 135.01 52.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -142.37 151.45 58.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 123.07 7.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 55.7 p -51.13 -24.62 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -25.98 63.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.528 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -91.97 10.8 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' THR . 17.1 p -145.07 152.62 40.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 5.8 mttt -132.11 156.23 46.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -118.12 143.51 46.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.089 HG13 HD11 ' A' ' 35' ' ' LEU . 18.9 m -129.3 154.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.71 133.63 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 63' ' ' THR . 58.3 p -72.99 138.83 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.446 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' CD ' ' A' ' 64' ' ' LYS . 4.2 pt -103.34 -4.79 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -155.08 154.64 29.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -48.31 129.07 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.94 -30.68 8.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.6 153.05 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.62 134.6 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.4 143.98 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 55.5 m -94.24 123.91 37.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.089 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -75.53 143.54 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 55' ' ' ARG . 31.5 mt -113.81 -35.73 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.3 pt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.5 m95 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -138.53 150.35 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.6 162.84 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 170.72 -175.44 44.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' THR . 49.0 tt0 -119.69 145.32 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.604 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.7 t-80 -79.67 146.55 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -89.68 43.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 1.1 m -162.9 -77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 44.8 p -53.91 -26.81 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 1.5 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 161.57 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -115.93 137.32 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -132.92 -171.88 12.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -111.69 134.38 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -142.96 151.7 56.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 p -49.3 -23.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -70.33 -31.25 68.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -85.56 11.24 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 12' ' ' THR . 23.8 p -145.18 153.32 41.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 8.1 ptmm? -131.64 152.51 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -118.38 143.46 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 35' ' ' LEU . 10.1 m -129.59 154.77 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.98 131.94 55.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 44.0 p -75.12 128.66 36.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 pt -97.32 -3.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -154.65 153.75 28.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.996 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -50.02 125.83 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.06 -31.89 6.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.13 152.34 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -112.62 133.89 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.14 140.78 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.1 m -94.13 123.29 37.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.915 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.36 144.33 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 55' ' ' ARG . 58.2 mt -112.36 -45.87 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 54.1 m95 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -134.89 150.34 50.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.4 t80 -106.45 158.43 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.04 -172.99 41.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 42.5 tt0 -119.91 143.02 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.443 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 36.0 t-80 -85.15 134.61 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -87.93 46.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.443 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 24.3 m -156.97 -67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -72.03 -24.12 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.53 -0.42 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.77 159.17 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -119.77 137.0 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.22 -167.82 11.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 86.3 m95 -111.72 134.89 52.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -142.39 151.62 58.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 121.71 6.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 50.6 p -49.38 -23.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.18 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.5 m-85 -84.46 11.0 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 11.3 p -145.01 152.21 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 mttt -132.55 158.76 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -118.0 143.7 46.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.994 HG13 HD11 ' A' ' 35' ' ' LEU . 11.1 m -129.5 154.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' NZ ' ' HA2' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -122.99 132.29 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.639 HG22 HG22 ' A' ' 63' ' ' THR . 60.3 p -76.32 132.03 39.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 21.7 pt -97.75 -10.29 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 21.4 m-85 -142.6 147.66 43.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -70.29 116.16 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 117.02 -31.23 5.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.89 150.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.23 133.78 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 144.72 48.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.1 m -94.06 123.59 37.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.994 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.02 144.57 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.34 -43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 9.6 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.95 149.98 28.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 18.2 t80 -106.85 163.86 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 178.34 -174.24 46.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 34.6 tt0 -115.43 152.74 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.476 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 46.6 t-80 -92.98 137.64 32.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.74 45.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 17.3 m -157.33 -72.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 p -66.39 -23.49 66.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.67 1.69 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.15 160.74 14.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -117.79 137.14 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' A' ' 46' ' ' TYR . . . -133.04 -170.88 12.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 75.1 m95 -111.5 134.64 52.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.9 151.8 57.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.93 124.87 8.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' THR . 91.7 p -49.87 -24.7 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -30.42 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.3 m-85 -84.76 9.74 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.639 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -145.16 152.88 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -131.07 151.44 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -118.1 143.34 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.836 HG13 HD11 ' A' ' 35' ' ' LEU . 22.4 m -129.59 154.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 132.14 54.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 63' ' ' THR . 63.0 p -74.64 133.77 42.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.451 HD13 ' HD2' ' A' ' 64' ' ' LYS . 18.3 pt -99.13 -9.38 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 36.1 m-85 -147.7 151.44 39.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.71 133.48 25.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.14 -30.19 10.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -51.0 151.86 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.95 134.19 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.98 139.36 53.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 43.8 m -93.92 123.65 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.836 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -72.34 149.53 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.4 mt -120.68 -49.11 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.7 m95 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.95 150.21 48.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -106.62 160.81 15.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 179.23 -174.88 46.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' THR . 58.3 tt0 -115.8 139.71 49.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.492 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.7 t-80 -82.92 135.32 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.04 45.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.492 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 62.5 m -153.4 -75.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -71.14 -18.95 62.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt 74.5 3.72 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.28 149.33 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 136.83 47.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.55 -168.19 11.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.163 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -111.81 134.69 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -142.72 151.51 57.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 121.76 6.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 52.0 p -49.64 -24.07 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.2 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.4 m-85 -83.55 9.74 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 12' ' ' THR . 24.0 p -145.05 152.9 40.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HD2' HD13 ' A' ' 13' ' ' ILE . 3.3 mtpt -129.8 153.26 48.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -117.11 143.86 45.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 35' ' ' LEU . 2.7 m -128.98 154.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.44 130.48 52.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 63' ' ' THR . 51.2 p -76.39 127.34 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 26.5 pt -95.04 -9.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.9 m-85 -144.95 149.53 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -71.59 114.68 9.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.08 -27.93 5.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.27 152.59 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.81 134.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -121.9 143.5 49.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.4 m -94.62 124.05 38.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -69.55 144.92 52.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -40.37 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 pt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 24.5 m95 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 60' ' ' SER . 4.2 mt -134.5 149.79 50.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -107.06 155.94 19.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.7 179.18 48.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 65.1 tt0 -107.23 150.62 26.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.526 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.0 t-80 -89.97 143.35 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.591 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -87.5 45.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 3.6 m -159.64 -93.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.501 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -48.38 -24.27 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.85 6.01 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 151.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 136.72 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.62 -165.75 11.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.573 1.17 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -111.85 134.4 53.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.91 153.19 60.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.04 119.03 5.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.423 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 p -49.38 -23.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -30.02 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 3.6 m-85 -84.73 7.9 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -142.76 151.42 41.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 13' ' ' ILE . 14.6 mttm -133.76 156.01 48.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mm100 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -118.22 143.31 46.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.075 HG13 HD11 ' A' ' 35' ' ' LEU . 21.1 m -129.65 154.53 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 139.85 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 63' ' ' THR . 43.1 p -82.88 128.79 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 19.4 pt -96.0 -7.56 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.6 m-85 -148.0 151.25 37.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -46.02 134.29 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.34 10.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 151.07 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -116.44 134.1 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.98 138.13 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 88.6 m -89.04 123.49 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.075 HD11 HG13 ' A' ' 10' ' ' VAL . 1.2 mp -71.55 148.52 46.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.926 HD23 ' O ' ' A' ' 35' ' ' LEU . 11.1 mt -145.52 43.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.51 HD11 ' H ' ' A' ' 46' ' ' TYR . 2.4 pt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' CB ' ' A' ' 60' ' ' SER . 1.9 mt -141.56 148.08 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 32.1 t80 -109.11 171.72 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 160.03 179.39 34.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.23 151.7 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.518 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.8 t-80 -90.39 139.87 30.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -85.49 47.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 18.5 m -158.42 -76.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 52' ' ' THR . 19.7 p -69.35 -17.68 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt 72.16 6.0 5.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.32 153.23 17.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -109.86 136.75 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.71 -170.44 12.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 60.4 m95 -111.67 134.7 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -142.64 151.87 58.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.896 ' CB ' HD12 ' A' ' 45' ' ' LEU . 58.5 p -50.86 -24.45 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -26.56 63.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -90.91 10.18 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 12' ' ' THR . 39.0 p -145.11 152.66 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.41 150.8 52.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -118.03 144.08 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.999 HG13 HD11 ' A' ' 35' ' ' LEU . 23.7 m -127.11 154.67 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.62 131.71 53.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.645 HG22 HG22 ' A' ' 63' ' ' THR . 71.3 p -78.85 127.95 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 64' ' ' LYS . 31.5 pt -100.64 -3.5 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.3 m-85 -144.75 148.5 39.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.54 118.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.86 -37.04 3.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -49.65 153.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.05 134.27 61.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.92 142.38 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.5 m -94.28 123.72 37.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.999 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -70.27 148.88 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 55' ' ' ARG . 33.5 mt -117.19 -44.42 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 39.0 m95 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.1 150.51 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 t80 -106.51 159.87 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.11 -172.43 42.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 27.5 tt0 -123.76 141.63 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -81.76 139.81 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.29 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.6 m -154.01 -71.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 p -67.59 -20.94 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 72.94 4.84 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.34 167.2 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -123.95 136.39 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.96 -173.89 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 90.9 m95 -111.83 133.88 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 6.4 p90 -143.34 155.15 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.92 125.39 9.34 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.8 p -51.24 -24.26 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -27.37 63.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.2 m-85 -88.27 9.32 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.645 HG22 HG22 ' A' ' 12' ' ' THR . 26.5 p -145.27 152.01 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -133.26 150.47 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -116.99 143.89 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.027 ' CG1' HD11 ' A' ' 35' ' ' LEU . 31.1 m -128.3 154.7 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.05 131.49 53.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 p -74.79 134.21 41.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.861 HD13 ' HD2' ' A' ' 64' ' ' LYS . 27.8 pt -104.8 -5.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 29.8 m-85 -148.27 150.1 33.77 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 110.969 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -48.68 122.92 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.59 -35.42 4.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -47.94 152.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -117.13 133.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 142.72 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.8 m -93.61 123.19 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.027 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.68 140.42 53.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.63 -27.46 8.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.7 pt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.549 ' O ' HD22 ' A' ' 45' ' ' LEU . 18.7 m95 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD23 ' CB ' ' A' ' 60' ' ' SER . 4.0 mm? -121.25 149.96 42.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -106.88 138.73 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -156.39 -176.3 28.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' THR . 21.5 tt0 -114.24 135.91 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.613 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 16.4 t-80 -78.28 137.54 38.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -98.81 50.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.613 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -155.78 -44.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.84 -18.68 13.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 79.44 -2.84 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.36 147.55 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.84 136.53 52.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.76 -167.1 11.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.74 135.21 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 4.8 p90 -142.45 151.55 58.03 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.05 121.31 6.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.54 -23.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.75 67.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.532 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -86.95 11.21 14.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.8 p -145.3 151.57 38.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.861 ' HD2' HD13 ' A' ' 13' ' ' ILE . 45.9 mtpt -133.45 154.23 50.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.712 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -118.07 143.47 46.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 35' ' ' LEU . 20.9 m -129.52 154.75 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.45 131.96 55.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.521 HG22 HG22 ' A' ' 63' ' ' THR . 68.1 p -75.29 133.86 41.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.546 HD13 ' HD2' ' A' ' 64' ' ' LYS . 16.7 pt -101.93 -11.23 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 13' ' ' ILE . 31.7 m-85 -144.9 149.6 43.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.7 tt0 -38.36 118.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.7 -37.37 3.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -48.36 154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -116.96 133.9 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.25 143.35 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.0 m -93.76 122.85 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD11 HG11 ' A' ' 10' ' ' VAL . 56.5 mt -77.84 145.68 36.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.65 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.2 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 mt -132.03 150.36 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CD1' ' CE2' ' A' ' 57' ' ' TRP . 7.6 t80 -106.71 147.32 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.06 177.76 46.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' THR . 30.2 tt0 -108.23 159.05 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.533 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 34.4 t-80 -98.08 149.61 22.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.39 46.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 6.9 m -161.68 -72.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.4 p -67.72 -27.33 66.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 80.2 -3.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.19 164.57 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -129.83 136.09 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.8 -169.5 11.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.475 ' CE2' ' CD1' ' A' ' 46' ' ' TYR . 87.3 m95 -111.9 133.9 53.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -143.33 154.81 61.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 22.8 p -49.82 -23.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -31.0 67.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -84.45 9.42 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 HG22 ' A' ' 12' ' ' THR . 25.0 p -145.01 156.25 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HD2' HD13 ' A' ' 13' ' ' ILE . 7.3 mtpt -131.86 154.09 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -118.22 143.34 46.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 35' ' ' LEU . 5.0 m -129.6 154.13 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 131.82 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.653 HG22 HG22 ' A' ' 63' ' ' THR . 70.8 p -74.89 133.61 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.572 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.9 pt -101.46 -6.91 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.2 m-85 -144.5 147.52 36.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -42.45 121.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.13 -32.36 6.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' NE2' ' A' ' 49' ' ' HIS . 21.7 m-20 -53.22 153.12 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -114.79 133.85 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -122.4 141.95 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 52.9 m -94.46 123.51 37.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.37 146.54 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 46' ' ' TYR . 64.5 mt -113.53 -48.78 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 42.0 m95 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -128.14 149.4 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 21.7 t80 -107.43 140.07 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.44 -176.05 31.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.3 tt0 -121.21 142.85 49.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 21.5 t-80 -83.95 145.84 28.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -92.87 46.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 16.2 m -155.99 -75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 52' ' ' THR . 18.3 p -68.31 -22.34 64.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 72.38 9.98 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.07 148.36 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.33 135.06 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -135.08 -168.53 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 89.6 m95 -112.22 132.99 54.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -144.1 154.28 57.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.05 125.88 9.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' THR . 9.5 p -51.79 -21.33 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -31.34 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.3 m-30 -82.62 8.41 11.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.653 HG22 HG22 ' A' ' 12' ' ' THR . 36.2 p -144.41 153.59 42.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.12 157.33 44.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 10' ' ' VAL . 2.4 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p -135.35 127.07 29.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -138.87 89.41 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.32 -150.52 51.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.24 114.38 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.15 159.96 7.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.97 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.25 52.48 4.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mp0 -45.22 169.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -118.37 143.64 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.055 HG13 HD11 ' A' ' 35' ' ' LEU . 27.6 m -129.46 154.73 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.4 132.04 54.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' THR . 70.3 p -79.38 127.93 32.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 41.5 pt -97.45 -11.27 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 23.4 m-85 -143.67 148.24 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.28 39.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -166.25 99.6 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.8 m -89.22 155.55 19.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -64.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 85.15 72.82 1.29 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 4.6 t-20 80.5 -55.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -42.27 132.55 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 23.82 13.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.3 p -112.94 -15.9 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.22 147.6 37.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.889 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.6 tp -91.67 131.18 37.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 p -97.87 122.31 40.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.474 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 16.5 p90 -157.0 177.18 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.93 152.18 35.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -52.0 125.93 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.55 -34.7 5.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -47.48 150.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.05 134.04 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 137.78 54.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 94.5 m -91.06 123.45 34.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.055 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -71.76 150.16 44.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.662 HD11 ' HD3' ' A' ' 55' ' ' ARG . 50.5 mt -118.68 -47.92 2.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 pt -100.41 137.61 19.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.91 21.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.44 176.83 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -128.73 143.89 51.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -78.63 64.72 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 59.62 58.36 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.32 -44.94 1.46 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 49.6 m95 -71.69 150.22 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -128.92 150.27 50.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.5 t80 -106.6 159.59 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -179.53 -174.9 45.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 40.9 tt0 -117.38 139.53 50.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 27' ' ' PHE . 19.4 t-80 -81.2 135.64 35.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.96 45.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.7 m -156.68 -72.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.1 p -67.45 -23.69 65.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt 78.5 -0.7 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.25 153.83 17.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.662 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -111.62 137.59 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.351 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.889 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -132.9 -170.65 12.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 96.1 m95 -111.62 135.04 52.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.41 151.59 58.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.96 122.4 7.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' THR . 53.5 p -49.47 -23.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -32.26 69.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.7 m-85 -85.89 11.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -144.78 152.2 39.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 3.6 mttt -132.36 154.79 49.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.61 134.61 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mt -60.44 -178.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -128.32 77.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.33 158.08 17.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -173.84 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -151.48 73.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.8 p -87.33 137.61 32.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -149.83 115.08 5.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -55.01 158.07 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.76 149.72 5.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.585 1.178 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.04 101.04 13.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -151.51 99.69 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.051 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.2 47.56 29.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -52.67 170.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -118.19 143.72 46.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.008 HG13 HD11 ' A' ' 35' ' ' LEU . 13.6 m -129.26 154.59 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -121.69 137.08 54.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 63' ' ' THR . 49.4 p -80.57 132.11 35.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.626 HG23 ' HG2' ' A' ' 64' ' ' LYS . 39.1 pt -102.33 -7.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.4 m-85 -148.11 148.48 29.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.97 152.13 40.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -151.74 134.13 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 m -122.39 141.76 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -74.92 -61.21 1.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.7 -107.34 2.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.31 -50.0 43.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.6 160.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.37 53.37 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.01 -46.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.627 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 66.3 mt -44.07 113.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.85 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.8 tp -60.54 123.26 16.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -91.01 125.6 35.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.94 -175.8 5.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.03 144.35 49.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -44.69 136.52 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.7 -37.4 3.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -47.8 148.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.2 133.9 56.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.74 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.08 138.31 54.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 55.5 m -90.44 123.45 34.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.008 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.09 145.21 51.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 mt -115.53 -45.48 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 5.1 pt -103.11 136.45 19.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -15.51 20.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -94.43 173.47 7.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -127.52 142.29 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 7.0 tttt -77.78 63.11 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 60.06 58.41 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 101.95 -45.8 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 46.7 m95 -71.66 147.21 47.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.95 150.16 50.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.3 t80 -106.66 160.01 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.39 -175.11 45.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 33.1 tt0 -114.3 139.69 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.519 ' HB2' HD21 ' A' ' 25' ' ' LEU . 10.0 t-80 -82.91 135.71 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -87.82 45.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 68.0 m -153.79 -76.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.442 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -68.56 -19.33 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt 75.66 3.24 3.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -115.75 137.09 52.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.85 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.23 -167.79 11.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.473 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 88.7 m95 -111.57 134.86 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -142.53 151.78 58.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.99 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 63' ' ' THR . 95.8 p -49.53 -23.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -70.8 -31.88 68.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -84.71 8.15 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 12' ' ' THR . 28.9 p -141.75 152.49 43.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.626 ' HG2' HG23 ' A' ' 13' ' ' ILE . 6.5 ptmm? -132.55 155.11 49.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.39 132.91 42.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 11' ' ' LYS . 4.4 mt -62.1 -168.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 p 54.24 64.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.76 -146.03 10.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 160.95 39.53 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 69.14 124.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.6 p -136.46 103.8 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.85 146.29 24.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.02 115.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.98 -151.26 17.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.46 146.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -104.71 130.85 52.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.83 51.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.69 169.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.28 143.58 46.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 35' ' ' LEU . 5.4 m -129.25 154.79 40.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -122.12 131.81 54.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 63' ' ' THR . 68.2 p -78.37 128.59 33.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.713 HG23 ' HG2' ' A' ' 64' ' ' LYS . 38.6 pt -99.74 -7.26 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.3 m-85 -145.26 147.01 32.46 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.2 Cg_endo -74.97 148.93 36.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -165.32 96.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.592 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 t -85.81 137.62 32.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.6 -48.58 39.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.13 81.83 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.99 -60.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.421 ' CB ' HD12 ' A' ' 24' ' ' LEU . 9.9 m120 -40.89 139.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.18 -24.54 14.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -69.47 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 21' ' ' ASN . 10.3 mt -78.88 161.78 26.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.8 tp -106.65 160.36 15.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.2 p -122.03 119.81 32.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 20.7 p90 -155.74 174.34 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -116.38 152.47 33.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 13' ' ' ILE . 49.5 tt0 -53.64 120.15 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.67 -30.53 5.9 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.41 154.02 2.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -114.84 134.3 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.76 140.83 51.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 35.1 m -94.09 123.48 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.964 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.19 145.89 47.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.6 mt -114.98 -49.16 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 42.8 pt -101.41 135.82 19.77 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.97 -12.2 21.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -93.87 170.5 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.27 140.79 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 44' ' ' TRP . 23.6 tptt -80.46 69.0 6.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 59.91 50.65 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.59 -47.07 1.09 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 18.6 m95 -67.85 151.34 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -130.95 150.3 52.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -106.66 153.2 22.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -172.19 -175.48 40.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 19.9 tt0 -115.85 137.67 51.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.523 ' HB2' HD21 ' A' ' 25' ' ' LEU . 27.5 t-80 -75.24 143.08 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -90.16 41.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 35.9 m -159.19 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 p -49.56 -24.95 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.395 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.65 0.37 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.39 160.87 14.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.683 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.44 -169.04 12.03 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -111.81 135.06 52.92 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -142.35 151.75 58.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -74.99 121.59 6.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 63' ' ' THR . 87.6 p -49.4 -23.56 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.39 -32.22 69.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.2 m-85 -85.5 11.62 10.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -145.14 152.42 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.713 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.64 159.13 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.76 132.63 40.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.1 mt -58.11 178.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -162.83 95.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.01 -145.73 19.41 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.2 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.5 t -128.26 131.8 48.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.046 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.14 -59.6 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -46.28 125.38 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.051 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.84 122.47 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -151.45 116.09 5.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 62.92 93.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.81 55.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -46.75 168.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -118.57 143.36 46.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.95 HG13 HD11 ' A' ' 35' ' ' LEU . 15.6 m -129.71 154.81 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.672 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -124.37 131.83 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 63' ' ' THR . 72.8 p -75.78 130.24 38.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.637 HD13 ' HD2' ' A' ' 64' ' ' LYS . 15.5 pt -97.2 -12.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 16.6 m-85 -145.44 147.67 34.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.8 32.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -161.78 79.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.651 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.9 m -65.42 146.8 54.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.16 -56.52 4.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 84.35 72.88 1.28 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.5 t-20 77.29 -58.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -41.48 120.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 -11.02 58.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.8 p -68.13 -47.6 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.21 154.65 21.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.6 tp -103.02 124.47 48.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -89.42 120.91 31.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.048 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' A' ' 12' ' ' THR . 10.2 p90 -155.85 169.79 23.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.62 156.01 19.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -55.38 131.88 46.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 104.32 -32.45 7.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.152 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -46.27 151.09 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -114.57 133.79 59.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.21 140.98 51.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 71.7 m -92.24 123.79 35.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.397 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.95 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -73.15 148.29 44.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.18 -40.08 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.5 pt -106.92 136.52 19.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -13.88 21.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.79 178.37 5.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -130.13 141.05 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 1.1 tmtm? -79.04 63.5 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 60.01 66.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.78 -41.05 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' LYS . 36.1 m95 -75.49 149.64 38.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CB ' ' A' ' 60' ' ' SER . 9.2 mt -129.18 150.54 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -106.32 162.65 13.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 175.21 -172.8 45.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' THR . 73.4 tt0 -118.57 143.79 46.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.524 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.5 t-80 -83.44 138.47 33.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -88.72 43.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.524 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 43.2 m -156.6 -66.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.2 p -71.15 -24.96 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt 78.41 -0.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.32 162.54 13.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.8 136.96 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.765 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.02 -170.68 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 96.9 m95 -111.8 134.54 53.3 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -142.93 151.62 56.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.508 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.04 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.434 ' CB ' HD12 ' A' ' 45' ' ' LEU . 63.4 p -49.6 -23.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -30.82 67.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.508 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.0 m-85 -87.46 11.69 14.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.761 HG22 HG22 ' A' ' 12' ' ' THR . 17.6 p -145.09 152.63 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.637 ' HD2' HD13 ' A' ' 13' ' ' ILE . 11.4 mtpt -130.23 151.6 50.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.51 132.83 37.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 11' ' ' LYS . 8.8 mt -68.91 171.1 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.78 97.4 5.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.57 -178.7 41.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.01 34.75 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.79 154.36 42.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 t 53.59 99.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.93 157.1 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.66 125.48 47.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.13 105.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -174.24 130.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -78.76 157.63 28.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.62 47.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.559 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.2 mm-40 -56.04 163.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -117.88 143.75 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG13 HD11 ' A' ' 35' ' ' LEU . 4.3 m -129.51 155.11 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.87 131.79 55.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 63' ' ' THR . 60.0 p -76.12 127.95 33.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 42.4 pt -96.03 -8.16 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.0 m-85 -146.4 147.53 31.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.59 38.43 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -163.13 81.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.6 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.3 m -84.15 142.99 29.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -73.08 -55.23 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.19 -55.43 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.64 -52.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -40.38 138.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 18.71 21.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.9 p -107.23 -51.94 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.429 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 7.7 mt -72.97 130.94 41.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.7 tp -72.03 137.62 47.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -104.81 119.84 39.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.066 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.608 ' CE1' HG21 ' A' ' 12' ' ' THR . 9.2 p90 -156.64 175.18 14.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.34 144.55 42.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -48.45 122.38 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.77 -31.05 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.431 1.082 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -52.93 153.79 3.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -111.14 134.23 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.86 138.12 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 51.9 m -93.97 123.59 37.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -69.91 151.11 46.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.6 mt -122.56 -44.52 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 39' ' ' GLU . 1.9 pt -102.53 137.72 19.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.42 21.42 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.1 tp10 -99.02 177.3 5.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.09 142.49 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' TRP . 1.6 ttpt -76.96 65.12 2.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.84 65.83 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.21 -43.23 2.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 33.7 m95 -72.22 145.71 47.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -125.16 150.27 47.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 6.6 t80 -106.65 158.78 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.29 -172.99 43.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 47.7 tt0 -117.54 141.47 48.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.525 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.1 t-80 -82.39 135.71 35.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -88.05 45.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 86.3 m -157.87 -69.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.6 p -68.1 -24.05 64.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 78.49 -0.88 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 161.21 13.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -118.9 137.03 53.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.922 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.21 -169.64 12.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 94.7 m95 -111.71 134.96 52.92 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -142.53 151.69 58.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.0 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.1 p -49.21 -23.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -32.16 69.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -84.83 11.11 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.692 HG22 HG22 ' A' ' 12' ' ' THR . 22.0 p -144.04 152.62 41.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 2.4 mttt -131.35 157.02 44.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.5 131.77 39.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mt -59.72 168.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -133.42 83.4 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.77 178.32 24.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -40.75 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.0 m 57.96 88.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.6 m 47.33 86.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 64.6 81.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -79.38 106.92 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.59 92.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.88 166.56 23.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.37 122.17 17.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.62 53.26 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.68 169.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 0.719 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -118.44 143.55 46.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.957 HG13 HD11 ' A' ' 35' ' ' LEU . 9.0 m -129.34 154.77 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -123.13 131.93 53.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 63' ' ' THR . 77.5 p -78.18 129.53 35.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.689 HG23 ' HG2' ' A' ' 64' ' ' LYS . 37.4 pt -99.73 -7.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 22.1 m-85 -145.61 146.49 29.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.5 Cg_endo -74.98 157.03 43.08 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -161.35 95.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.7 m -67.27 132.68 48.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 24' ' ' LEU . . . -138.96 13.88 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 18' ' ' ALA . . . -36.67 -67.9 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.28 -67.33 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.759 ' ND2' HD12 ' A' ' 24' ' ' LEU . 83.3 m-20 -41.95 143.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -22.96 12.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 p -87.49 -10.77 50.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.391 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.759 HD12 ' ND2' ' A' ' 21' ' ' ASN . 39.2 mt -107.87 147.34 31.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.851 HD13 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -94.91 133.03 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 p -100.34 122.56 43.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -156.21 174.76 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.26 148.1 39.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -48.48 126.68 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.29 -33.75 5.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.957 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -48.16 151.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.354 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.88 133.64 60.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.665 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.46 142.01 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 85.6 m -94.2 123.69 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.957 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.25 150.02 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.8 mt -120.35 -46.6 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.2 pt -97.2 137.43 21.21 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -21.66 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -94.52 173.88 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -121.62 149.96 42.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -79.02 57.6 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 59.92 50.02 7.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 115.15 -44.63 1.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 34.2 m95 -77.31 155.91 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -135.86 150.14 49.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 14.3 t80 -106.76 168.16 9.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 172.31 -176.57 45.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' THR . 55.6 tt0 -115.17 139.04 50.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.54 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 10.7 t-80 -76.12 144.64 40.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -90.63 44.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 8.6 m -161.15 -79.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.3 p -55.51 -25.29 36.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.69 1.75 3.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.06 159.83 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 136.94 52.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.851 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.25 -169.29 12.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -111.74 134.64 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 21.9 p90 -142.77 151.7 57.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.554 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 122.55 7.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 63' ' ' THR . 78.7 p -49.62 -23.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -31.27 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -85.68 10.91 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 12' ' ' THR . 30.0 p -145.06 152.53 40.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.689 ' HG2' HG23 ' A' ' 13' ' ' ILE . 2.9 pttp -132.63 160.2 37.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -76.45 133.04 39.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.1 mt -58.95 174.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -131.78 82.17 2.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.78 168.1 37.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 81.3 2.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -45.98 136.42 6.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.87 88.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.122 . . . . 0.0 110.988 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -120.35 169.97 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.12 130.31 39.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.35 96.66 2.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -179.03 146.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.953 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -85.29 109.54 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.74 48.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.5 mm100 -54.21 170.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -118.1 143.69 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.669 HG13 HD11 ' A' ' 35' ' ' LEU . 3.7 m -129.1 154.88 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -120.91 131.79 54.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 36.3 p -75.08 128.95 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.8 pt -97.95 -11.54 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 27.7 m-85 -144.67 149.2 42.64 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.02 145.16 31.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -150.73 107.84 3.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -89.92 124.53 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 25' ' ' LEU . . . -97.87 -38.72 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 70.53 47.04 44.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 7.5 t30 79.9 -66.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.722 ' ND2' HD12 ' A' ' 24' ' ' LEU . 7.5 t30 39.08 -156.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.82 -50.54 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -115.84 49.91 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.722 HD12 ' ND2' ' A' ' 21' ' ' ASN . 73.7 mt -152.32 135.47 15.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.826 HD13 ' N ' ' A' ' 56' ' ' GLY . 14.3 tp -102.32 151.29 22.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -115.65 124.35 50.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 7.9 p90 -162.96 167.1 23.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.16 157.02 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -54.22 136.47 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.94 -36.1 4.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -45.62 152.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.724 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -114.82 133.91 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -122.16 139.69 53.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 48' ' ' GLU . 77.7 m -94.14 123.59 37.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.669 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -67.47 148.6 51.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 46' ' ' TYR . 81.9 mt -117.08 -42.59 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pt -111.59 138.32 21.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -12.94 21.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -95.8 171.81 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -131.86 150.72 52.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -79.41 64.8 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.53 29.34 18.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.14 -52.27 0.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 36.5 m95 -64.85 143.31 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -121.46 150.03 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 36' ' ' LEU . 21.0 t80 -106.83 146.66 30.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -167.43 179.71 40.79 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' THR . 28.2 tt0 -108.39 149.33 28.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.528 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 6.2 t-80 -89.49 136.89 32.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -88.25 44.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 23.1 m -153.51 -78.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -65.48 -20.32 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.07 1.36 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.05 157.93 15.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -119.58 136.39 54.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.826 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.76 -166.33 11.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -111.94 135.02 53.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -142.31 151.66 58.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.1 Cg_endo -75.06 121.0 6.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 63' ' ' THR . 86.8 p -49.74 -23.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -31.06 68.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.8 m-30 -86.18 11.16 12.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 2.9 p -145.12 152.74 40.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -132.06 157.62 43.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.9 133.83 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.5 mt -59.62 174.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -149.43 91.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.99 -146.61 7.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 61.75 5.73 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -42.85 -59.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.2 m -129.78 107.3 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 111.016 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -52.43 119.7 4.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -49.28 107.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.12 134.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -174.39 112.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 0.763 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.77 114.72 26.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.57 53.36 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.9 169.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -118.45 143.53 46.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.034 HG13 HD11 ' A' ' 35' ' ' LEU . 14.5 m -129.45 154.9 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -121.59 131.87 54.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -76.99 128.61 34.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.642 HD13 ' HD2' ' A' ' 64' ' ' LYS . 43.5 pt -99.01 -10.2 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.2 m-85 -145.63 149.04 38.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.12 33.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -160.84 76.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.3 m -75.88 135.78 40.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 24' ' ' LEU . . . -90.02 89.03 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.92 -108.63 0.31 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -50.03 -45.72 52.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.815 ' CB ' HD12 ' A' ' 24' ' ' LEU . 71.5 m-80 -48.65 175.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.11 -47.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.597 ' O ' HD23 ' A' ' 24' ' ' LEU . 12.1 p -81.42 51.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.815 HD12 ' CB ' ' A' ' 21' ' ' ASN . 31.6 mt -149.54 135.87 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.8 tp -82.3 135.23 35.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -99.36 120.74 40.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.0 p90 -158.96 173.48 16.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.49 148.19 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -48.44 131.31 17.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.59 -34.67 5.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -50.5 151.82 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.9 t -113.67 134.28 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.87 142.66 50.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.8 m -94.26 123.63 37.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.034 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -71.71 146.88 47.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 55' ' ' ARG . 55.4 mt -114.66 -49.49 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 39' ' ' GLU . 1.8 pt -99.42 137.22 20.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -13.95 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -94.41 173.2 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -125.86 139.32 53.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -75.56 65.9 1.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 53.4 62.13 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.42 -44.16 1.65 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 47.8 m95 -74.77 156.14 36.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -135.99 150.62 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 9.5 t80 -106.5 156.52 18.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.8 -175.37 44.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 45.6 tt0 -117.87 136.28 53.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.768 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 9.4 t-80 -76.12 141.21 42.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -93.01 46.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 28.3 m -159.18 -69.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.3 p -68.41 -24.18 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.48 -0.7 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.26 160.89 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -117.97 137.37 52.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.925 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -132.97 -170.33 12.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 96.6 m95 -111.65 134.89 52.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 36.0 p90 -142.45 151.77 58.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.2 Cg_endo -74.96 122.24 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.3 p -49.22 -23.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -31.96 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.7 m-30 -85.51 9.99 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 21.5 p -143.07 152.45 41.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.642 ' HD2' HD13 ' A' ' 13' ' ' ILE . 6.7 mtpt -132.38 157.39 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.04 133.46 41.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.3 mt -58.97 171.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -155.44 95.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.16 -169.96 22.23 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.44 42.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.402 1.738 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -137.9 119.63 15.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.04 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m 60.44 160.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -102.93 131.92 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -111.06 141.21 44.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.68 60.5 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.44 75.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 109.977 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -157.34 111.56 2.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.17 55.26 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -44.45 168.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -118.45 143.43 46.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.947 HG13 HD11 ' A' ' 35' ' ' LEU . 13.7 m -129.56 154.82 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -121.35 132.58 54.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 63' ' ' THR . 62.3 p -75.46 139.34 42.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.374 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' CD2' ' A' ' 14' ' ' PHE . 21.3 pt -107.59 -13.41 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CD2' HG13 ' A' ' 13' ' ' ILE . 33.6 m-85 -145.87 149.04 38.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.94 33.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -156.09 80.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.609 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.9 m -85.38 142.52 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.54 -54.81 2.73 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.99 -57.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.434 HD22 HD11 ' A' ' 24' ' ' LEU . 1.3 m-20 -46.56 157.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.08 0.71 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.2 p -92.62 -0.52 57.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 HD22 ' A' ' 21' ' ' ASN . 6.7 mt -117.71 133.26 56.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.5 tp -78.22 114.98 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 p -81.97 122.11 27.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -154.76 178.81 9.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.59 140.81 51.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -42.5 136.26 2.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.59 -35.05 5.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -49.99 149.96 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -111.65 133.96 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.701 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -122.13 142.11 50.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.333 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 25.9 m -94.19 123.65 37.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.947 HD11 HG13 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -72.34 144.75 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.1 mt -115.01 -50.54 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 34.4 pt -97.3 134.36 22.79 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.08 -8.77 20.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.72 171.62 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 pm0 -124.31 149.09 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -83.95 70.71 10.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 60.52 38.48 18.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.0 -48.48 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 23.6 m95 -65.16 150.06 48.83 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 45' ' ' LEU . 9.8 mt -126.02 149.96 48.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.528 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 22.8 t80 -106.93 163.4 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 176.17 -178.4 47.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HA ' ' CG ' ' A' ' 55' ' ' ARG . 49.6 tt0 -109.23 147.11 33.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.531 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 5.7 t-80 -89.66 136.52 32.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.4 45.37 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.531 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 21.3 m -153.81 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.3 p -74.74 -19.64 60.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt 75.31 2.11 3.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.17 150.44 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -110.81 136.77 49.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.869 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.53 -163.85 10.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -111.85 134.86 53.14 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.483 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 20.8 p90 -142.52 151.45 57.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -74.98 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 13.5 t -49.46 -22.85 1.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -32.02 69.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -81.5 -6.37 58.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.611 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -124.45 154.29 40.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' HG23 ' A' ' 13' ' ' ILE . 9.2 pttp -132.16 160.78 35.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.65 134.04 38.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 11' ' ' LYS . 3.0 mt -61.08 167.62 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.8 p -140.2 89.42 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.0 155.56 30.24 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 163.21 35.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 m 60.31 113.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.38 97.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.09 105.22 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -177.57 143.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.75 167.45 19.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -113.69 -70.61 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.06 109.57 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.58 46.72 0.85 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' O ' HD12 ' A' ' 35' ' ' LEU . 5.4 mm-40 -52.63 170.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -118.33 143.84 46.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 35' ' ' LEU . 3.6 m -128.95 154.75 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -121.95 131.9 54.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 63' ' ' THR . 71.1 p -76.69 128.02 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 32.6 pt -97.27 -9.49 9.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.8 m-85 -145.66 148.0 35.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -74.95 151.07 39.34 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -161.37 92.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -89.26 146.98 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.09 -53.15 6.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.51 -58.08 5.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.33 -50.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.2 154.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -109.81 -51.13 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -48.96 -38.44 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.22 137.48 46.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -93.68 125.34 38.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -89.75 120.69 31.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 9.9 p90 -156.03 177.11 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.69 153.4 31.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.65 126.13 25.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.84 -35.5 4.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -50.1 152.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.1 t -112.75 134.59 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -121.48 141.29 51.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 18.1 m -94.16 123.77 37.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.374 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 HG13 ' A' ' 10' ' ' VAL . 1.3 mp -71.08 149.7 46.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.7 mt -116.4 -47.87 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 pt -97.37 139.07 21.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.4 19.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.554 1.818 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -99.21 -178.53 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.49 165.38 19.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -98.3 52.41 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.76 53.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 60' ' ' SER . . . 107.66 -38.26 3.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 37.8 m95 -81.63 151.35 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -132.57 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CD1' ' CD2' ' A' ' 57' ' ' TRP . 6.2 t80 -106.64 156.68 18.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -177.96 -179.85 48.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 24.3 tt0 -110.5 144.96 38.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.67 ' HB2' HD21 ' A' ' 25' ' ' LEU . 38.3 t-80 -83.36 141.02 32.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.636 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . 4.0 t70 -88.82 43.76 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.434 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 94.5 m -157.52 -84.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -53.7 -22.73 9.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.41 1.6 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.2 155.25 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.87 136.85 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.754 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.15 -170.61 12.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CD2' ' CD1' ' A' ' 46' ' ' TYR . 91.9 m95 -111.56 135.01 52.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -142.37 151.45 58.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 123.07 7.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 55.7 p -51.13 -24.62 4.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 -25.98 63.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.528 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.1 m-85 -91.97 10.8 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 12' ' ' THR . 17.1 p -145.07 152.62 40.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 5.8 mttt -132.11 156.23 46.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -74.79 133.4 41.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.8 mt -59.93 170.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -147.27 84.85 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.26 -178.87 6.02 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.37 35.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.71 142.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.3 m -116.29 -60.07 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -144.17 137.74 27.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 76.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.67 -93.79 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -81.42 -9.35 59.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.02 117.79 35.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.9 51.19 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -53.59 162.0 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -118.12 143.51 46.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.089 HG13 HD11 ' A' ' 35' ' ' LEU . 18.9 m -129.3 154.64 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.649 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -122.71 133.63 54.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.576 HG21 ' CE1' ' A' ' 27' ' ' PHE . 58.3 p -72.99 138.83 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.446 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' CG2' ' CD ' ' A' ' 64' ' ' LYS . 4.2 pt -103.34 -4.79 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -155.08 154.64 29.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.05 29.77 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -161.16 95.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.593 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.0 m -85.9 159.25 19.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.51 -61.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.5 -112.19 4.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ASN . 5.0 t30 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.553 ' CG ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.9 -52.3 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.73 -59.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.7 p -47.61 -52.07 19.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' CG ' ' A' ' 21' ' ' ASN . 12.5 mt -57.05 157.35 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.787 HD23 HD22 ' A' ' 33' ' ' LEU . 10.6 tp -95.65 123.31 39.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.7 p -85.77 120.21 26.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 12' ' ' THR . 11.0 p90 -156.6 170.36 22.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.81 149.02 37.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -48.31 129.07 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.94 -30.68 8.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -53.6 153.05 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.62 134.6 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.787 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -121.4 143.98 48.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 55.5 m -94.24 123.91 37.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.089 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -75.53 143.54 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 55' ' ' ARG . 31.5 mt -113.81 -35.73 5.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.3 pt -96.62 138.77 21.42 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.01 -14.54 21.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -113.91 -178.85 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.02 143.0 51.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HG3' ' CZ3' ' A' ' 57' ' ' TRP . 3.8 mmtt -66.66 -166.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.04 71.12 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.46 2.47 82.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' LYS . 67.5 m95 -119.5 160.55 22.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mt -138.53 150.35 46.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -106.6 162.84 13.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 170.72 -175.44 44.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' THR . 49.0 tt0 -119.69 145.32 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.604 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 11.7 t-80 -79.67 146.55 32.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -89.68 43.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 1.1 m -162.9 -77.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 51' ' ' THR . 44.8 p -53.91 -26.81 26.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 1.5 3.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 161.57 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -115.93 137.32 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.783 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -132.92 -171.88 12.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.548 ' CZ3' ' HG3' ' A' ' 41' ' ' LYS . 96.4 m95 -111.69 134.38 53.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -142.96 151.7 56.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 p -49.3 -23.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' O ' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -70.33 -31.25 68.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -85.56 11.24 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.557 HG22 HG22 ' A' ' 12' ' ' THR . 23.8 p -145.18 153.32 41.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' CG2' ' A' ' 13' ' ' ILE . 8.1 ptmm? -131.64 152.51 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.62 129.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.649 HD21 ' CB ' ' A' ' 11' ' ' LYS . 11.0 mt -67.83 176.71 2.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -143.24 88.94 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.05 162.58 11.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.42 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 p -68.08 163.24 22.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.8 p -121.74 -58.69 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.86 166.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.999 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -105.88 8.99 32.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.7 103.11 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.26 126.77 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -74.67 86.51 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.55 53.92 0.38 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -44.78 169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.334 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -118.38 143.46 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.915 HG13 HD11 ' A' ' 35' ' ' LEU . 10.1 m -129.59 154.77 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -119.98 131.94 55.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 63' ' ' THR . 44.0 p -75.12 128.66 36.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 pt -97.32 -3.47 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -154.65 153.75 28.22 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.15 34.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.9 t-80 -140.52 134.57 30.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.576 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.4 m -130.73 140.14 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 24' ' ' LEU . . . -80.87 89.86 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 18' ' ' ALA . . . -54.54 -108.97 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.85 -48.4 16.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.511 ' HB2' HD21 ' A' ' 24' ' ' LEU . 27.0 m-20 -55.56 156.41 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -124.11 83.03 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 HG23 HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -172.49 -40.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -48.86 108.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 56' ' ' GLY . 15.7 tp -57.38 112.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.37 138.53 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 11.9 p90 -174.35 -177.89 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.01 148.13 47.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -50.02 125.83 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.06 -31.89 6.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -53.13 152.34 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.7 t -112.62 133.89 56.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -122.14 140.78 52.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' GLU . 24.1 m -94.13 123.29 37.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.915 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -70.36 144.33 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 55' ' ' ARG . 58.2 mt -112.36 -45.87 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 pt -102.89 137.38 19.27 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.37 20.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.538 1.81 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.1 177.08 6.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -128.02 141.23 51.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -80.34 63.15 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 57.68 70.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.22 -38.84 3.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.549 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 54.1 m95 -78.69 152.74 31.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -134.89 150.34 50.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.4 t80 -106.45 158.43 16.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -176.04 -172.99 41.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 42.5 tt0 -119.91 143.02 48.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.443 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 36.0 t-80 -85.15 134.61 34.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -87.93 46.0 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.443 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 24.3 m -156.97 -67.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -72.03 -24.12 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt 78.53 -0.42 2.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.77 159.17 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -119.77 137.0 54.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.22 -167.82 11.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 86.3 m95 -111.72 134.89 52.98 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -142.39 151.62 58.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.549 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.04 121.71 6.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 63' ' ' THR . 50.6 p -49.38 -23.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.18 69.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.5 m-85 -84.46 11.0 9.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 12' ' ' THR . 11.3 p -145.01 152.21 39.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 mttt -132.55 158.76 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt -75.09 133.59 41.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 11' ' ' LYS . 2.1 mt -60.48 175.33 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -140.51 87.99 2.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.5 158.46 29.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.05 9.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 t -142.14 81.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 74.83 -59.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 96.52 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.3 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.24 150.62 26.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -134.1 147.82 50.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.64 147.13 50.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.85 61.3 7.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -59.24 163.02 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.289 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -118.0 143.7 46.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.994 HG13 HD11 ' A' ' 35' ' ' LEU . 11.1 m -129.5 154.43 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.659 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -122.99 132.29 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.803 HG21 ' CD1' ' A' ' 27' ' ' PHE . 60.3 p -76.32 132.03 39.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 21.7 pt -97.75 -10.29 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 21.4 m-85 -142.6 147.66 43.48 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.21 42.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.714 ' CE1' HD13 ' A' ' 24' ' ' LEU . 5.3 t-160 -147.02 173.78 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.9 m -145.62 137.69 25.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.31 -17.94 20.34 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -38.46 138.54 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.3 t-20 80.42 -67.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -52.3 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.7 46.88 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.03 -43.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.714 HD13 ' CE1' ' A' ' 16' ' ' HIS . 86.5 mt -58.51 150.3 23.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.673 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.7 tp -100.34 157.82 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.84 125.54 54.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.803 ' CD1' HG21 ' A' ' 12' ' ' THR . 27.5 p90 -165.05 156.06 14.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.54 170.34 10.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -70.29 116.16 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' HA2' ' NZ ' ' A' ' 11' ' ' LYS . . . 117.02 -31.23 5.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -41.89 150.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.5 t -112.23 133.78 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.24 144.72 48.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 48' ' ' GLU . 95.1 m -94.06 123.59 37.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.994 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -72.02 144.57 48.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.34 -43.66 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.887 HD12 ' O ' ' A' ' 39' ' ' GLU . 46.7 pt -77.52 156.58 80.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -18.6 18.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.887 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.8 pm0 -176.92 170.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 163.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -132.37 12.32 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 20.9 t70 173.73 39.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.65 -3.27 64.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 9.6 m95 -118.35 147.59 43.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.95 149.98 28.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 56' ' ' GLY . 18.2 t80 -106.85 163.86 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 178.34 -174.24 46.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 34.6 tt0 -115.43 152.74 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.6 t-80 -92.98 137.64 32.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.74 45.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 17.3 m -157.33 -72.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.1 p -66.39 -23.49 66.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.67 1.69 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.15 160.74 14.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -117.79 137.14 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.673 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.04 -170.88 12.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 75.1 m95 -111.5 134.64 52.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.9 151.8 57.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.4 Cg_endo -74.93 124.87 8.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 63' ' ' THR . 91.7 p -49.87 -24.7 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -30.42 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.947 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.3 m-85 -84.76 9.74 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.639 HG22 HG22 ' A' ' 12' ' ' THR . 19.6 p -145.16 152.88 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -131.07 151.44 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.66 130.62 36.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.659 HD21 ' CB ' ' A' ' 11' ' ' LYS . 11.5 mt -66.74 170.48 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -134.71 95.51 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.31 155.13 16.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 156.56 43.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.3 t -97.66 133.78 41.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.0 m -52.74 -63.1 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 p -131.02 141.02 50.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p 44.36 83.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.16 133.9 3.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -141.95 103.9 4.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -156.18 100.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.16 52.36 0.6 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -55.18 162.03 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -118.1 143.34 46.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.836 HG13 HD11 ' A' ' 35' ' ' LEU . 22.4 m -129.59 154.55 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -122.45 132.14 54.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 63' ' ' THR . 63.0 p -74.64 133.77 42.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.451 HD13 ' HD2' ' A' ' 64' ' ' LYS . 18.3 pt -99.13 -9.38 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 36.1 m-85 -147.7 151.44 39.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.06 42.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -160.26 91.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.5 m -67.17 134.93 52.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -134.29 12.26 3.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -36.84 138.05 0.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 1.0 OUTLIER 80.46 -68.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -43.85 144.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 -23.61 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.3 p -77.28 -17.56 58.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 mt -115.03 142.87 46.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 56' ' ' GLY . 8.6 tp -94.31 134.89 36.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 p -101.76 121.07 41.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 15.1 p90 -153.18 176.27 12.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.26 152.19 36.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -50.71 133.48 25.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.14 -30.19 10.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -51.0 151.86 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.95 134.19 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.98 139.36 53.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.481 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 43.8 m -93.92 123.65 37.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.836 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -72.34 149.53 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 70.4 mt -120.68 -49.11 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.1 pt -97.69 136.11 21.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.41 21.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -95.07 176.23 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -133.4 138.18 46.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -70.53 66.32 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 54.9 52.88 11.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.3 -50.01 0.8 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' LYS . 28.7 m95 -67.85 147.33 52.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.0 mt -125.95 150.21 48.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -106.62 160.81 15.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 179.23 -174.88 46.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' THR . 58.3 tt0 -115.8 139.71 49.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.513 ' HB2' HD21 ' A' ' 25' ' ' LEU . 8.7 t-80 -82.92 135.32 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.04 45.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 62.5 m -153.4 -75.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -71.14 -18.95 62.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt 74.5 3.72 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.28 149.33 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 136.83 47.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.807 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.55 -168.19 11.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.56 1.163 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 97.3 m95 -111.81 134.69 53.21 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -142.72 151.51 57.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.97 121.76 6.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 52.0 p -49.64 -24.07 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -31.2 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.514 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.4 m-85 -83.55 9.74 10.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG22 ' A' ' 12' ' ' THR . 24.0 p -145.05 152.9 40.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HD2' HD13 ' A' ' 13' ' ' ILE . 3.3 mtpt -129.8 153.26 48.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.51 129.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.645 HD21 ' CB ' ' A' ' 11' ' ' LYS . 12.7 mt -65.39 171.95 3.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 m -155.02 89.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.67 146.87 9.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 64.71 6.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.29 93.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.8 m -84.44 142.27 30.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 m -100.85 155.35 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -157.31 128.89 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.2 144.52 16.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 p -78.0 112.24 14.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -172.12 150.84 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.25 54.62 1.82 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -45.24 169.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.362 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -117.11 143.86 45.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 35' ' ' LEU . 2.7 m -128.98 154.3 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.167 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -124.44 130.48 52.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 63' ' ' THR . 51.2 p -76.39 127.34 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.54 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 26.5 pt -95.04 -9.52 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 24.9 m-85 -144.95 149.53 42.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.45 36.65 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 49.6 t-80 -158.87 86.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.9 m -77.73 145.63 36.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.411 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.16 -51.06 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -124.46 6.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.97 -51.97 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -57.01 130.41 45.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 -27.59 15.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 23' ' ' THR . 43.4 p -55.19 -51.55 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.379 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.05 142.25 57.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 56' ' ' GLY . 11.9 tp -88.84 130.87 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.2 p -94.12 121.7 35.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 12' ' ' THR . 8.5 p90 -157.43 164.54 37.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.67 168.2 9.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -71.59 114.68 9.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.08 -27.93 5.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 111.065 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -53.27 152.59 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -115.81 134.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -121.9 143.5 49.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 48' ' ' GLU . 18.4 m -94.62 124.05 38.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -69.55 144.92 52.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -113.42 -40.37 3.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 39' ' ' GLU . 2.3 pt -104.89 137.81 19.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -11.3 21.59 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.1 mm-40 -102.08 172.65 6.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.47 139.69 50.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -65.16 -163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.47 65.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' LYS . . . 90.56 5.36 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 41' ' ' LYS . 24.5 m95 -117.43 157.66 25.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD12 ' HB2' ' A' ' 60' ' ' SER . 4.2 mt -134.5 149.79 50.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -107.06 155.94 19.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.7 179.18 48.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 65.1 tt0 -107.23 150.62 26.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.526 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 8.0 t-80 -89.97 143.35 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.591 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -87.5 45.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 3.6 m -159.64 -93.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.501 ' N ' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -48.38 -24.27 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.85 6.01 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.22 151.55 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 136.72 51.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.844 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.62 -165.75 11.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.573 1.17 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 41' ' ' LYS . 95.0 m95 -111.85 134.4 53.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.91 153.19 60.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -75.04 119.03 5.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.423 ' HB2' HD12 ' A' ' 45' ' ' LEU . 38.4 p -49.38 -23.51 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -30.02 66.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' ' 16' ' ' HIS . 3.6 m-85 -84.73 7.9 18.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.73 HG22 HG22 ' A' ' 12' ' ' THR . 19.0 p -142.76 151.42 41.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 13' ' ' ILE . 14.6 mttm -133.76 156.01 48.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -68.45 130.8 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD12 ' HA3' ' A' ' 72' ' ' GLY . 1.8 mt -55.22 171.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.3 93.22 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.02 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.47 169.58 25.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.06 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -140.01 91.59 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.958 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t 68.44 156.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.692 ' HA3' HD12 ' A' ' 66' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 -50.77 8.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.94 82.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.79 -130.12 1.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -139.22 -97.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.3 91.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.84 47.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' O ' HD12 ' A' ' 35' ' ' LEU . 6.2 mm100 -58.01 168.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.366 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -118.22 143.31 46.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.075 HG13 HD11 ' A' ' 35' ' ' LEU . 21.1 m -129.65 154.53 40.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.627 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -123.34 139.85 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 63' ' ' THR . 43.1 p -82.88 128.79 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 19.4 pt -96.0 -7.56 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.6 m-85 -148.0 151.25 37.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.93 30.73 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -154.61 94.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.61 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 t -73.58 157.57 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -132.26 9.21 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -37.52 138.12 0.6 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 3.4 t30 79.03 -62.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.07 179.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -131.65 -62.53 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.67 -44.51 6.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.39 143.55 51.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.749 HD13 ' N ' ' A' ' 56' ' ' GLY . 10.5 tp -101.42 134.02 45.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.0 p -95.1 121.52 36.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.046 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' CD2' ' A' ' 49' ' ' HIS . 13.3 p90 -157.43 176.77 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.25 147.61 46.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -46.02 134.29 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.15 -30.34 10.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 151.07 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -116.44 134.1 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD22 HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -121.98 138.13 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 88.6 m -89.04 123.49 33.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.075 HD11 HG13 ' A' ' 10' ' ' VAL . 1.2 mp -71.55 148.52 46.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.926 HD23 ' O ' ' A' ' 35' ' ' LEU . 11.1 mt -145.52 43.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.51 HD11 ' H ' ' A' ' 46' ' ' TYR . 2.4 pt -144.29 161.28 45.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.41 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 111.035 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -154.91 160.15 40.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -55.9 165.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.74 51.83 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 64.63 32.97 11.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.59 -47.42 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -81.24 162.14 23.66 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.896 HD12 ' CB ' ' A' ' 60' ' ' SER . 1.9 mt -141.56 148.08 38.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 32.1 t80 -109.11 171.72 7.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . 160.03 179.39 34.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.23 151.7 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.703 ' HB2' HD21 ' A' ' 25' ' ' LEU . 6.8 t-80 -90.39 139.87 30.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -85.49 47.64 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 18.5 m -158.42 -76.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 52' ' ' THR . 19.7 p -69.35 -17.68 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.429 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt 72.16 6.0 5.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.32 153.23 17.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -109.86 136.75 48.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.749 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.71 -170.44 12.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 60.4 m95 -111.67 134.7 53.06 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -142.64 151.87 58.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 18.3 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.896 ' CB ' HD12 ' A' ' 45' ' ' LEU . 58.5 p -50.86 -24.45 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -26.56 63.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' PRO . 4.1 m-85 -90.91 10.18 27.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 12' ' ' THR . 39.0 p -145.11 152.66 40.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -132.41 150.8 52.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.7 129.07 34.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD21 ' CB ' ' A' ' 11' ' ' LYS . 13.4 mt -65.2 171.25 3.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.39 88.21 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.33 163.9 54.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.502 1.127 . . . . 0.0 110.975 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -91.2 146.08 24.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.3 t -174.3 145.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -142.12 149.09 39.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 m -111.64 149.89 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.76 120.16 0.35 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -133.1 143.67 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -118.87 163.36 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 50.95 1.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -53.91 169.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -118.03 144.08 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.999 HG13 HD11 ' A' ' 35' ' ' LEU . 23.7 m -127.11 154.67 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -123.62 131.71 53.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.844 HG21 ' CD1' ' A' ' 27' ' ' PHE . 71.3 p -78.85 127.95 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.408 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 64' ' ' LYS . 31.5 pt -100.64 -3.5 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 25.3 m-85 -144.75 148.5 39.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 141.57 26.98 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -158.22 109.81 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.5 m -108.87 142.78 38.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.83 89.33 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . -85.55 105.35 2.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 6.6 t30 80.98 -59.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -53.34 164.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -120.7 -54.73 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -39.68 -54.24 2.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' H ' HG23 ' A' ' 23' ' ' THR . 13.4 mt -55.06 136.54 47.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.774 HD11 ' HB2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -78.54 -177.95 5.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.716 ' H ' HD13 ' A' ' 25' ' ' LEU . 21.8 p -137.91 122.07 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.844 ' CD1' HG21 ' A' ' 12' ' ' THR . 36.2 p90 -160.02 169.72 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.07 144.49 49.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -39.54 118.52 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.86 -37.04 3.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -49.65 153.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.05 134.27 61.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.92 142.38 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLU . 78.5 m -94.28 123.72 37.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.999 HD11 HG13 ' A' ' 10' ' ' VAL . 0.9 OUTLIER -70.27 148.88 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 55' ' ' ARG . 33.5 mt -117.19 -44.42 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 41.7 pt -106.25 136.93 19.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.99 -15.21 20.9 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.87 176.15 6.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -127.78 142.22 51.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' TRP . 13.3 tttt -80.65 67.26 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.56 60.84 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.46 -40.49 2.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 39.0 m95 -74.48 154.71 38.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.1 mt -134.1 150.51 51.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 6.8 t80 -106.51 159.87 15.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -178.11 -172.43 42.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 34' ' ' THR . 27.5 tt0 -123.76 141.63 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.774 ' HB2' HD11 ' A' ' 25' ' ' LEU . 49.6 t-80 -81.76 139.81 34.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.615 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -89.29 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.6 m -154.01 -71.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.8 p -67.59 -20.94 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 72.94 4.84 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.34 167.2 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 36' ' ' LEU . 1.6 mtt180 -123.95 136.39 54.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.96 -173.89 13.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.48 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 90.9 m95 -111.83 133.88 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' C ' ' CE3' ' A' ' 44' ' ' TRP . 6.4 p90 -143.34 155.15 61.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -74.92 125.39 9.34 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 63' ' ' THR . 59.8 p -51.24 -24.26 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -27.37 63.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.2 m-85 -88.27 9.32 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.645 HG22 HG22 ' A' ' 12' ' ' THR . 26.5 p -145.27 152.01 39.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.738 ' HG2' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -133.26 150.47 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.07 130.84 44.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -55.83 171.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -156.56 98.36 1.81 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.35 -162.6 38.41 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.76 6.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -122.71 117.83 26.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.56 154.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 111.029 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.89 -58.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.34 129.08 52.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.64 -169.69 26.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.0 103.49 12.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.769 . . . . 0.0 109.973 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -122.76 156.89 33.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.83 49.67 2.86 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.1 170.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -116.99 143.89 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.027 ' CG1' HD11 ' A' ' 35' ' ' LEU . 31.1 m -128.3 154.7 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.05 131.49 53.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.5 p -74.79 134.21 41.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.861 HD13 ' HD2' ' A' ' 64' ' ' LYS . 27.8 pt -104.8 -5.84 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 29.8 m-85 -148.27 150.1 33.77 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.82 31.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -151.68 93.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.644 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.7 m -68.14 135.5 52.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' GLY . . . -141.88 15.77 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 18' ' ' ALA . . . -36.07 -76.68 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -51.94 -66.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 24' ' ' LEU . 18.6 m-20 -40.34 144.18 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' HG3' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.435 HG23 ' HG3' ' A' ' 22' ' ' LYS . 23.4 p -84.23 3.55 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' ND2' ' A' ' 21' ' ' ASN . 30.3 mt -121.06 142.01 50.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 56' ' ' GLY . 12.9 tp -89.71 124.32 34.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' N ' ' HB3' ' A' ' 18' ' ' ALA . 30.1 p -93.87 121.26 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 16.7 p90 -152.24 179.2 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.09 151.29 47.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -48.68 122.92 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.59 -35.42 4.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -47.94 152.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -117.13 133.72 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 142.72 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.8 m -93.61 123.19 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.027 HD11 ' CG1' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.68 140.42 53.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.63 -27.46 8.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 19.7 pt -112.44 138.55 21.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.03 -29.24 8.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.13 -168.31 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.678 ' CB ' HD21 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -132.18 164.66 25.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 44' ' ' TRP . 13.4 tttp -90.03 21.31 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 41' ' ' LYS . 1.9 t0 75.24 32.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.93 -32.32 1.92 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.549 ' O ' HD22 ' A' ' 45' ' ' LEU . 18.7 m95 -110.37 137.78 47.63 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD21 ' CB ' ' A' ' 40' ' ' GLU . 4.0 mm? -121.25 149.96 42.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -106.88 138.73 42.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 34' ' ' THR . . . -156.39 -176.3 28.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' THR . 21.5 tt0 -114.24 135.91 53.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.613 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 16.4 t-80 -78.28 137.54 38.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -98.81 50.51 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.613 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -155.78 -44.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.84 -18.68 13.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 79.44 -2.84 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.36 147.55 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.84 136.53 52.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.981 ' N ' HD13 ' A' ' 25' ' ' LEU . . . -133.76 -167.1 11.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.74 135.21 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 4.8 p90 -142.45 151.55 58.03 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.2 Cg_endo -75.05 121.31 6.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.622 ' CB ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -49.54 -23.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -30.75 67.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.532 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -86.95 11.21 14.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' SER . 11.8 p -145.3 151.57 38.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.37 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.861 ' HD2' HD13 ' A' ' 13' ' ' ILE . 45.9 mtpt -133.45 154.23 50.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.712 HD22 HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -69.23 130.99 44.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 171.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.0 p -146.07 79.04 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -91.97 -145.52 15.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.98 30.11 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.7 t -121.84 105.87 10.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 t -136.12 -58.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 t -82.04 115.15 21.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.51 155.99 27.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.74 -12.94 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -127.79 144.72 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.01 52.01 0.08 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -56.05 159.07 3.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -118.07 143.47 46.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG11 HD11 ' A' ' 35' ' ' LEU . 20.9 m -129.52 154.75 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.7 OUTLIER -119.45 131.96 55.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.91 HG21 ' CD1' ' A' ' 27' ' ' PHE . 68.1 p -75.29 133.86 41.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD13 ' HD2' ' A' ' 64' ' ' LYS . 16.7 pt -101.93 -11.23 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 13' ' ' ILE . 31.7 m-85 -144.9 149.6 43.19 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.03 150.4 37.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -171.29 84.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -87.36 138.9 31.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 25' ' ' LEU . . . -65.72 -60.75 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 20' ' ' ASN . . . 64.12 97.43 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.8 t-20 80.2 -55.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -49.9 169.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.229 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -126.94 -57.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.117 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' LYS . 79.8 p -38.9 -54.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.06 140.89 43.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.858 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -76.93 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.615 ' H ' HD13 ' A' ' 25' ' ' LEU . 83.7 p -167.37 119.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.91 ' CD1' HG21 ' A' ' 12' ' ' THR . 30.5 p90 -156.24 175.58 13.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' GLN . . . -123.22 139.02 54.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.7 tt0 -38.36 118.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.7 -37.37 3.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -48.36 154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.1 t -116.96 133.9 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.25 143.35 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' GLU . 99.0 m -93.76 122.85 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD11 HG11 ' A' ' 10' ' ' VAL . 56.5 mt -77.84 145.68 36.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 mt -108.65 -52.24 2.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 9.2 pt -97.75 135.51 21.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.371 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -15.02 20.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' O ' HD23 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -91.01 168.72 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.48 143.83 50.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -78.29 64.34 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 60.04 42.1 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.43 -51.13 0.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' LYS . 43.2 m95 -67.89 152.48 45.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 39' ' ' GLU . 10.8 mt -132.03 150.36 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CD1' ' CE2' ' A' ' 57' ' ' TRP . 7.6 t80 -106.71 147.32 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -175.06 177.76 46.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' THR . 30.2 tt0 -108.23 159.05 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.777 ' HB2' HD11 ' A' ' 25' ' ' LEU . 34.4 t-80 -98.08 149.61 22.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.39 46.27 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 6.9 m -161.68 -72.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.4 p -67.72 -27.33 66.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.444 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt 80.2 -3.73 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.19 164.57 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' NE ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -129.83 136.09 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -134.8 -169.5 11.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 41' ' ' LYS . 87.3 m95 -111.9 133.9 53.8 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -143.33 154.81 61.1 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HG2' ' CG ' ' A' ' 62' ' ' TYR . 18.4 Cg_endo -75.0 124.16 8.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 63' ' ' THR . 22.8 p -49.82 -23.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -31.0 67.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 2.6 m-85 -84.45 9.42 13.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 HG22 ' A' ' 12' ' ' THR . 25.0 p -145.01 156.25 43.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HD2' HD13 ' A' ' 13' ' ' ILE . 7.3 mtpt -131.86 154.09 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.83 131.98 37.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 11' ' ' LYS . 4.5 mt -63.16 174.47 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -148.58 93.26 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.13 153.7 7.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.44 27.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 t -161.52 126.3 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.8 p -123.21 163.6 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -155.21 102.94 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 53.81 98.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.18 116.29 4.11 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.85 105.97 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -128.68 94.2 3.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.61 52.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.4 mm-40 -57.47 161.64 3.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.759 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -118.22 143.34 46.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 35' ' ' LEU . 5.0 m -129.6 154.13 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.589 ' CB ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -120.6 131.82 54.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.107 HG21 ' CD2' ' A' ' 27' ' ' PHE . 70.8 p -74.89 133.61 41.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.572 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 37.9 pt -101.46 -6.91 9.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 13' ' ' ILE . 20.2 m-85 -144.5 147.52 36.71 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 14' ' ' PHE . 18.3 Cg_endo -75.02 143.05 28.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -164.72 101.1 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.636 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -97.56 140.21 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.1 -52.34 9.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 60.59 -124.56 36.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -42.55 -56.56 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.22 135.48 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.13 3.4 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -92.22 -48.18 6.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD22 ' CZ3' ' A' ' 44' ' ' TRP . 9.8 mt -76.78 156.76 32.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD13 ' H ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -89.38 174.3 7.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.751 ' H ' HD13 ' A' ' 25' ' ' LEU . 35.4 p -130.75 119.89 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.107 ' CD2' HG21 ' A' ' 12' ' ' THR . 37.3 p90 -153.05 161.5 42.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -114.82 144.14 43.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -42.45 121.17 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.13 -32.36 6.56 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' NE2' ' A' ' 49' ' ' HIS . 21.7 m-20 -53.22 153.12 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -114.79 133.85 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -122.4 141.95 51.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 52.9 m -94.46 123.51 37.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.596 HD11 HG13 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -69.37 146.54 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 46' ' ' TYR . 64.5 mt -113.53 -48.78 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.7 pt -107.15 136.75 19.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -92.19 170.99 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.254 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.53 140.49 52.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TRP . 13.9 tttp -78.97 66.38 4.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 60.31 44.55 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.42 -49.83 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 59' ' ' PRO . 42.0 m95 -67.3 149.52 50.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 11.5 mt -128.14 149.4 50.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 21.7 t80 -107.43 140.07 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.44 -176.05 31.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.3 tt0 -121.21 142.85 49.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.485 ' HB2' HD11 ' A' ' 25' ' ' LEU . 21.5 t-80 -83.95 145.84 28.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -92.87 46.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.46 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 16.2 m -155.99 -75.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.438 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 52' ' ' THR . 18.3 p -68.31 -22.34 64.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 72.38 9.98 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.07 148.36 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.33 135.06 54.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' N ' HD23 ' A' ' 25' ' ' LEU . . . -135.08 -168.53 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 46' ' ' TYR . 89.6 m95 -112.22 132.99 54.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -144.1 154.28 57.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 44' ' ' TRP . 18.3 Cg_endo -75.05 125.88 9.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' THR . 9.5 p -51.79 -21.33 2.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.68 -31.34 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' CG ' ' HG2' ' A' ' 59' ' ' PRO . 3.3 m-30 -82.62 8.41 11.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.653 HG22 HG22 ' A' ' 12' ' ' THR . 36.2 p -144.41 153.59 42.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HD2' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -132.12 157.33 44.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HA ' HG12 ' A' ' 10' ' ' VAL . 2.4 mt -79.0 128.84 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.589 HD21 ' CB ' ' A' ' 11' ' ' LYS . 13.9 mt -62.86 170.24 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.2 p -125.79 87.74 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.52 -145.03 11.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 91.48 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.6 p -84.88 154.96 21.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -107.92 95.78 5.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 110.977 179.978 . . . . . . . . 0 0 . 1 stop_ save_