data_1wh5_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 1wh5 _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 ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -72.21 116.5 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.69 170.14 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.38 -38.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 2.3 tt0 -64.56 -68.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 8.7 mm-40 -52.37 -45.22 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -63.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -45.16 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.1 mmp_? -49.35 -52.4 28.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.471 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.2 mtm -66.22 -42.94 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -46.81 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.43 80.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 39' ' ' ILE . 18.5 tp -71.12 -51.33 25.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB2' ' CG ' ' A' ' 41' ' ' TRP . . . -53.57 -42.89 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -100.58 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 23.9 pt -83.84 -33.13 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 42' ' ' ARG . . . 108.0 43.94 1.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CG ' ' HB2' ' A' ' 36' ' ' ALA . 35.7 m95 45.25 27.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.53 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 2.7 ptm85 -130.67 175.77 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.3 mt -138.72 137.3 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -140.84 170.09 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -4.58 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.89 -43.54 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.0 m-20 -74.28 -10.49 59.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.06 -61.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 12.3 pt-20 -42.57 -37.27 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -80.66 -47.07 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mm -53.77 -61.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.14 -47.15 81.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 21.8 tpt180 -56.47 -51.73 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 2.2 t80 -54.53 -29.23 50.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 97.5 m -73.83 -14.7 61.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -86.03 -33.39 21.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.58 -32.16 25.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.424 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 73.3 p -98.68 -66.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.13 1.16 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 86.6 t -73.95 142.56 79.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.1 Cg_endo -74.98 141.57 26.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -49.21 -56.1 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -46.63 -33.01 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.578 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -79.05 -48.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.5 tm? -55.49 -20.95 14.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -83.43 -72.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' TRP . 24.5 m -49.11 -45.22 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.471 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.2 t90 -38.84 -63.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.12 116.24 13.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.53 169.32 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.87 -40.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.49 -68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.5 mm-40 -50.24 -46.38 54.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -63.81 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.45 -41.72 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -53.93 -50.52 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 10.0 mtt -67.37 -42.39 83.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -45.43 83.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.75 74.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 tp -72.46 -51.47 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' ' CD2' ' A' ' 41' ' ' TRP . . . -54.59 -43.96 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.62 -7.78 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -50.48 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 35.7 pt -83.94 -32.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.22 32.16 3.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.498 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 20.7 m95 58.49 24.72 12.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 1.9 ttm180 -130.32 151.94 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.19 140.46 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.61 170.22 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -10.12 50.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -87.43 -54.3 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.8 m-20 -67.5 -13.27 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -46.4 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -56.07 -45.78 79.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.4 t -72.21 -39.38 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.06 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.06 -29.08 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.3 tpt180 -76.25 -53.59 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -57.08 -23.3 45.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 66.9 m -76.98 -9.63 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -96.28 -20.03 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 8.6 pt-20 -95.98 -28.97 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 72.6 p -105.65 -28.05 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.31 2.9 88.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 88.0 t -74.16 142.03 78.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.99 143.18 28.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttp-105 -50.55 -57.74 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -45.29 -34.04 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -76.84 -51.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.2 tm? -54.72 -22.3 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -81.75 -71.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 68' ' ' TRP . 27.5 m -49.22 -47.49 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 84.2 t90 -37.62 -63.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.495 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 14.9 m-85 -77.43 116.12 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.6 173.69 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -36.26 -49.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.77 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 12.1 mm-40 -46.74 -47.2 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -58.18 -63.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.37 -39.03 63.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -56.06 -57.56 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.55 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 12.1 mtt -60.65 -42.9 97.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -47.86 70.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.89 82.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 65' ' ' LEU . 31.4 tp -68.51 -50.24 53.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -56.38 -46.86 79.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.64 -7.91 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.34 -51.08 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 pt -84.57 -32.32 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.77 28.17 4.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.453 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 28.1 m95 65.52 13.42 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -119.1 150.42 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG12 ' CD1' ' A' ' 51' ' ' ILE . 9.5 mt -121.67 146.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' N ' HG21 ' A' ' 43' ' ' ILE . 17.5 mt-30 -160.3 177.96 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -10.34 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.56 -53.55 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.7 m-20 -70.45 -16.2 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.21 -47.61 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.2 t -73.73 -41.49 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -57.3 -71.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -44.71 24.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.97 -48.21 82.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 1.8 t80 -61.77 -22.79 65.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.21 -11.24 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.401 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -97.11 -15.87 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 7.1 pt-20 -99.3 -25.71 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 66.2 p -111.04 -39.01 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.7 1.24 68.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 94.0 t -74.17 142.1 78.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.97 144.36 30.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -51.66 -57.17 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -45.93 -32.45 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -78.74 -52.51 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.5 tm? -53.21 -23.24 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 9.7 ttpp -80.02 -72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' TRP . 31.0 m -49.73 -46.15 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.55 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.8 t90 -37.94 -62.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.8 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 9.0 m-85 -72.49 116.54 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -91.11 171.68 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -38.62 -38.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.8 tt0 -66.35 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.1 mm-40 -50.81 -45.8 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -62.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.05 -43.74 82.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.567 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 13.2 mtm -70.67 -42.17 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -43.03 84.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.7 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 54' ' ' PHE . 39.9 tp -72.02 -50.34 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -54.85 -45.97 74.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.3 -8.0 50.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -98.04 -49.83 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 pt -81.12 -32.65 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.01 26.79 5.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.7 m95 64.04 21.93 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -126.82 151.51 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 7.0 mt -119.46 144.69 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' N ' HG23 ' A' ' 43' ' ' ILE . 1.1 mm-40 -158.04 168.65 26.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -14.46 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -82.87 -48.59 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.8 m-20 -75.67 -14.95 60.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.06 -45.36 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.83 -46.12 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.6 t -73.43 -36.84 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.87 -57.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.96 -28.32 68.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -78.64 -42.16 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CE2' HD23 ' A' ' 65' ' ' LEU . 60.6 t80 -56.77 -34.26 67.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -70.25 -11.35 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -93.93 -19.87 20.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 7.5 pt-20 -99.16 -30.59 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 49.6 p -106.41 -58.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.71 0.12 23.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 79.5 t -73.99 142.89 80.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.757 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.02 140.91 25.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -56.81 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -46.13 -33.4 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.39 -49.92 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 54' ' ' PHE . 2.1 tm? -53.23 -21.67 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.9 OUTLIER -81.65 -70.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' TRP . 31.4 m -50.77 -46.28 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.5 t90 -38.27 -62.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.501 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.505 ' CG ' ' HE1' ' A' ' 32' ' ' MET . 5.0 m-85 -72.55 116.36 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -89.99 174.41 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.07 -47.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.78 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -46.82 -47.32 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -59.11 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -36.63 69.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 31.8 mtm -57.64 -48.2 80.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -43.48 69.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.55 -50.7 34.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -55.07 -47.51 74.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.27 -7.96 41.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.6 pt -79.29 -32.63 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 109.21 23.93 6.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 37.3 m95 67.03 22.21 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 4.8 ttp-105 -128.2 151.14 49.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 69' ' ' LEU . 2.1 mp -127.11 133.31 68.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -142.12 173.4 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -12.15 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.96 -51.09 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 23.0 m-20 -68.57 -13.57 62.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -44.22 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -44.99 94.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -70.96 -37.95 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.02 -66.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -52.39 -29.14 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -76.73 -54.31 6.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 58' ' ' THR . 1.7 t80 -54.62 -22.42 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 20.7 t -79.82 -19.99 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.81 -21.98 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' HG22 ' A' ' 58' ' ' THR . 6.2 pt-20 -96.84 -32.57 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.522 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 77.2 p -99.57 -59.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.83 -1.15 25.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG1' HG12 ' A' ' 64' ' ' VAL . 76.4 t -74.05 142.47 79.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.591 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.04 143.27 28.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -51.44 -56.89 10.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -45.25 -35.95 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.591 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.2 t -72.79 -58.88 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 3.2 tm? -53.69 -20.76 5.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.92 -72.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.72 -36.34 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 89.6 t90 -41.56 -56.73 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 4.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CD1' ' HE3' ' A' ' 32' ' ' MET . 8.3 m-85 -71.75 116.19 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.57 167.36 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.59 -40.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.17 -71.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' O ' ' SD ' ' A' ' 32' ' ' MET . 10.7 mm-40 -48.92 -47.89 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.73 -39.55 65.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -55.52 -41.5 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.572 ' CE ' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -74.48 -46.1 41.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -42.8 73.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.08 80.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -70.72 -50.68 33.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -55.3 -45.75 76.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.78 -7.81 52.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -97.44 -50.3 4.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 pt -83.05 -32.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.03 23.55 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 20.7 m95 67.79 17.13 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -123.43 150.95 43.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -118.55 138.92 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.99 168.55 22.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -14.53 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.8 -51.44 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 19.9 m-20 -72.64 -15.47 61.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.98 -50.35 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -53.17 -45.37 68.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -71.89 -39.26 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.49 -69.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -49.51 -32.98 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.1 tpp85 -72.2 -54.35 9.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CZ ' HG22 ' A' ' 58' ' ' THR . 0.9 OUTLIER -54.32 -28.54 43.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 98.2 m -72.55 -11.69 60.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.6 -31.2 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 13.2 pt-20 -84.68 -32.17 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.537 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 69.8 p -98.79 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.74 0.03 34.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 93.6 t -74.1 142.23 78.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.5 Cg_endo -74.98 144.9 30.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -58.84 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -44.57 -32.41 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.96 -55.23 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 2.5 tm? -53.24 -25.97 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -77.08 -71.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' TRP . 20.5 m -50.11 -44.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 86.5 t90 -39.28 -62.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 7.1 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 15.9 m-85 -75.12 116.22 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.42 168.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.22 -40.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.8 -70.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.0 mm-40 -48.85 -46.69 42.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -56.19 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.88 -40.01 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -55.9 -50.55 70.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.542 ' HE1' ' CD1' ' A' ' 24' ' ' PHE . 11.5 mtm -67.6 -41.91 83.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.02 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.51 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.74 -52.32 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.33 -43.9 68.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -73.22 -7.95 53.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.31 -50.14 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 43.7 pt -83.19 -32.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.14 29.69 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.52 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.4 m95 57.83 39.98 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -143.69 151.17 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 6.9 mt -116.46 142.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' N ' HG23 ' A' ' 43' ' ' ILE . 2.9 mt-30 -156.08 169.07 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -18.79 65.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.63 -51.91 7.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 5.9 m-20 -70.46 -17.92 62.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -40.24 -54.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 1.6 mt-10 -45.78 -42.83 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.2 t -78.4 -39.47 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.27 -71.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ASP . 4.3 mt-30 -48.48 -32.95 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 18.5 tpp85 -72.09 -53.82 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -54.76 -27.02 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 75.3 m -75.12 -10.99 59.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -90.19 -30.51 17.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -86.32 -34.87 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.56 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 68.9 p -94.27 -52.24 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.33 1.31 47.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' HG13 ' A' ' 64' ' ' VAL . 89.6 t -73.94 142.51 79.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 143.99 29.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -51.72 -57.25 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -45.9 -31.81 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.38 -51.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.7 tm? -57.11 -23.74 49.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.0 ttmt -78.76 -67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 68' ' ' TRP . 32.5 m -53.22 -47.46 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 67' ' ' VAL . 86.7 t90 -37.29 -61.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 5.3 m-85 -75.03 115.8 15.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.75 164.97 20.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.86 -35.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.7 tt0 -69.73 -70.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -54.64 -44.76 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -53.84 -59.29 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.88 -48.92 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 1.4 mmp_? -44.31 -48.17 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 10.3 mtt -70.36 -44.67 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -45.99 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -72.26 -52.33 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -53.12 -47.55 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.76 -8.03 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -99.96 -49.37 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.6 pt -78.45 -33.11 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 105.62 32.07 4.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.1 m95 56.8 36.85 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -139.43 153.19 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 22.6 mt -125.53 115.12 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -124.18 169.77 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -11.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.32 -52.5 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' VAL . 32.5 m-20 -68.74 -16.33 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -53.27 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -43.43 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -74.05 -42.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.84 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -44.43 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -60.51 -52.51 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 58' ' ' THR . 1.0 OUTLIER -54.61 -26.29 31.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 84.5 m -74.95 -15.17 60.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -84.02 -33.46 24.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -84.29 -33.29 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 67.5 p -96.04 -64.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.91 -0.1 19.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 94.6 t -73.92 142.32 79.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.01 143.71 29.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.798 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -52.39 -55.86 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -46.78 -32.03 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -77.72 -53.83 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.3 tm? -54.21 -20.09 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.9 ttpm? -82.39 -72.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -51.25 -35.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 83.2 t90 -44.81 -56.44 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 9.9 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 16.0 m-85 -73.91 116.51 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.79 170.67 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.65 -40.76 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -62.38 -71.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.2 mm-40 -49.45 -46.28 47.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.26 -61.16 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.33 -49.06 77.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 0.6 OUTLIER -47.64 -47.47 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 24' ' ' PHE . 13.3 mtm -70.62 -41.58 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -44.84 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.04 82.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 50' ' ' VAL . 33.4 tp -70.99 -49.43 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -55.61 -43.63 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -73.53 -8.15 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -46.38 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 16.0 pt -85.27 -32.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 112.05 23.59 5.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 40.4 m95 69.13 10.57 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 30.6 ptt180 -115.51 170.95 8.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 39.0 mt -131.61 138.95 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.9 mt-30 -153.43 172.02 17.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -17.59 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.27 -44.06 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' ASP . 58.5 m-20 -73.62 -21.07 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -39.08 -62.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.97 -42.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 35' ' ' LEU . 4.9 t -77.22 -41.15 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.4 mm -55.97 -50.78 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -68.37 -48.16 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -57.66 -39.93 78.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CZ ' HG23 ' A' ' 58' ' ' THR . 42.5 t80 -62.17 -45.0 95.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -62.99 -15.67 57.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -84.87 -34.25 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 6.3 pt-20 -86.46 -34.99 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 73.7 p -97.07 -71.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.48 1.01 7.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 75.0 t -74.14 142.89 79.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.02 140.13 25.02 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.18 -53.23 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -48.92 -31.97 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.63 -48.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.6 tm? -55.57 -20.72 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.1 ttpp -80.94 -70.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' TRP . 23.5 m -51.97 -44.67 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' VAL . 81.8 t90 -39.27 -61.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 9.8 m-85 -72.22 116.43 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.92 170.22 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.91 -39.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.46 -70.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.5 mm-40 -49.87 -45.73 50.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -61.7 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.59 -46.53 83.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -49.05 -52.78 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 18.7 mtm -66.04 -45.62 80.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -47.72 79.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.59 70.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.8 tp -76.54 -54.13 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -56.26 -17.45 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -92.1 -8.03 46.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -107.51 -17.12 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 21.6 pt -111.06 -32.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.35 26.24 6.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 17.8 m95 61.33 39.48 15.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.14 157.08 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 7.8 mt -121.68 140.94 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' N ' HG21 ' A' ' 43' ' ' ILE . 3.9 mt-30 -156.68 178.94 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -3.93 32.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -95.07 -45.72 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 22.5 m-20 -78.48 -16.42 57.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.2 t0 -39.49 -61.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -42.86 -41.22 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.3 t -76.64 -43.82 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.08 -63.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.73 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 19.7 tpt180 -58.27 -48.3 80.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 58' ' ' THR . 16.9 t80 -54.8 -30.25 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 50.5 t -73.52 -10.43 59.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.23 -20.13 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 8.8 pt-20 -99.24 -36.47 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.572 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.4 p -98.14 -52.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.79 1.61 39.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 64' ' ' VAL . 99.5 t -73.92 142.24 79.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.575 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.98 141.7 27.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -49.64 -55.91 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.12 -31.19 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.575 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -81.02 -48.52 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.6 tm? -58.78 -17.08 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 5.6 ttpp -84.18 -69.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' TRP . 28.1 m -54.95 -47.44 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 81.8 t90 -36.54 -61.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 7.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CE1' ' HE2' ' A' ' 32' ' ' MET . 20.8 m-85 -72.52 116.64 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.11 169.74 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.34 -40.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.2 tt0 -63.04 -69.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.0 mm-40 -51.15 -45.74 61.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.51 -44.93 73.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 7.3 mmp_? -49.54 -54.0 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.562 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 16.0 mtt -66.19 -41.68 89.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -44.8 81.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -33.76 76.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.44 -51.81 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 41' ' ' TRP . . . -53.37 -44.68 68.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.97 -7.7 50.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -99.33 -49.42 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 47.3 pt -81.82 -32.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 106.04 28.02 5.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.584 1.178 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 13.2 m95 61.44 40.09 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 11.2 ttt180 -142.03 150.83 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 7.4 mt -120.0 140.34 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 43' ' ' ILE . 3.2 mt-30 -153.55 176.23 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -6.3 42.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.59 -47.81 7.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' VAL . 49.9 m-20 -72.31 -12.49 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.1 pt-20 -43.34 -36.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -83.92 -37.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.8 mm -63.48 -58.4 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.55 -31.72 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -73.95 -49.78 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 58' ' ' THR . 12.6 t80 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 39.9 t -68.18 -16.67 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.64 -34.54 34.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 6.9 pt-20 -86.9 -36.73 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.499 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 72.0 p -93.19 -71.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.88 1.63 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' HG11 ' A' ' 64' ' ' VAL . 74.2 t -73.93 142.91 80.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.99 140.57 25.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -49.2 -54.11 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -48.19 -32.39 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.578 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.46 -48.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 3.0 tm? -56.85 -23.07 41.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 6.4 ttmm -78.62 -68.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' TRP . 30.2 m -53.36 -44.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.476 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 85.1 t90 -39.46 -63.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 7.1 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -72.32 116.18 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -90.8 173.09 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.98 -47.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.27 -71.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.3 mm-40 -50.02 -45.92 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.7 -43.99 76.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.58 -54.29 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.561 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 22.2 mtm -65.12 -37.55 87.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -45.88 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -26.73 67.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 2.4 tp -82.23 -52.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.534 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -58.07 -16.34 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -88.76 -7.92 55.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.86 -17.77 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' CG2' ' OD2' ' A' ' 47' ' ' ASP . 25.4 pt -107.17 -32.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.64 29.3 5.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.7 m95 60.59 38.25 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 1.5 ttm-85 -142.05 150.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 44' ' ' GLN . 3.3 mp -116.34 157.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' N ' HG22 ' A' ' 43' ' ' ILE . 1.5 mt-30 -168.82 -175.34 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -16.92 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.45 -42.37 18.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' OD2' ' CG2' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -82.17 -14.69 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -44.56 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -57.72 -45.81 85.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.0 t -72.58 -38.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.02 -64.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.04 -26.14 35.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 11.6 tpt180 -79.96 -46.04 17.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 21.7 t80 -53.05 -32.11 45.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.75 -16.82 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -86.28 -22.42 26.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 5.4 pt-20 -97.37 -24.98 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.472 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 42.0 p -112.37 -66.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.17 2.78 10.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 68.8 t -73.98 143.36 80.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.96 136.3 20.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.27 -46.27 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.25 -28.6 54.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.579 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -82.67 -45.1 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.3 tm? -55.53 -18.89 8.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -82.64 -72.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' TRP . 29.2 m -53.35 -45.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.47 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 81.7 t90 -37.99 -61.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 5.8 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CD1' ' HE3' ' A' ' 32' ' ' MET . 5.2 m-85 -72.16 116.52 12.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -92.49 174.29 7.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.02 -71.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.9 mm-40 -48.58 -46.66 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -62.02 2.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.62 -41.51 73.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -56.06 -58.15 9.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.589 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.8 mtm -61.43 -46.6 89.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -43.44 86.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.44 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 3.5 tp -82.59 -52.85 6.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 41' ' ' TRP . . . -58.92 -15.54 13.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -92.11 -8.28 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.66 -17.09 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 49.9 pt -110.21 -31.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.38 26.94 6.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 8.4 m95 62.09 40.63 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 12.1 ttp180 -142.65 152.73 42.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 69' ' ' LEU . 4.3 mp -120.62 140.14 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' N ' HG21 ' A' ' 43' ' ' ILE . 22.8 mt-30 -145.39 -175.53 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -82.11 1.76 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' VAL . 39.6 m-20 -83.44 -11.84 57.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -43.59 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.1 t -71.06 -35.51 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -65.78 -57.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.6 -27.88 69.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 56' ' ' GLN . 10.3 tpp180 -79.28 -44.53 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 41.3 t80 -54.68 -38.03 66.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 42.1 t -65.05 -14.34 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -89.02 -25.06 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 12.1 pt-20 -95.22 -26.51 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 40.1 p -110.34 -66.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.27 1.05 10.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 64' ' ' VAL . 71.7 t -73.98 143.05 80.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 139.59 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.82 -26.08 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -83.11 -49.72 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 1.7 tm? -55.11 -21.21 12.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -80.71 -72.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 68' ' ' TRP . 26.1 m -52.13 -45.58 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.589 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 74.3 t90 -37.13 -54.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 2.7 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.596 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 7.3 m-85 -72.25 116.72 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.76 171.19 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -39.24 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.36 -70.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.1 mm-40 -49.71 -46.81 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -55.85 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.92 -39.98 96.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.16 -48.56 81.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 11.7 mtt -68.14 -46.02 71.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.84 92.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.07 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.3 tp -82.58 -52.49 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -56.94 -16.73 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.57 -7.61 43.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.81 -14.92 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 28.9 pt -110.42 -32.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.27 21.29 7.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.46 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 39.9 m95 67.62 38.57 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 12.4 ptp180 -143.71 176.32 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 19.9 mt -138.81 143.36 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 43' ' ' ILE . 11.6 mt-30 -150.45 179.97 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.1 2.52 23.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -102.48 -32.13 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.1 m-20 -88.79 -12.04 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ILE . 14.9 m-20 -40.57 -65.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -40.78 -35.28 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.3 t -81.93 -43.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 43' ' ' ILE . 4.3 mm -59.77 -42.46 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -78.57 -36.34 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CZ ' HG23 ' A' ' 58' ' ' THR . 57.1 t80 -63.43 -47.12 83.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 44.7 t -63.0 -14.82 52.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -80.14 -32.78 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' THR . 7.0 pt-20 -92.33 -37.91 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.576 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 64.6 p -90.98 -69.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.69 -0.66 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 97.4 t -73.96 141.22 78.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.603 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.98 147.09 33.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -58.76 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.2 -33.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.603 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -74.54 -57.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.4 tm? -55.31 -20.74 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.6 tttp -78.62 -72.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' TRP . 51.0 t -53.64 -39.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 75.7 t90 -41.53 -53.56 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 3.8 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 7.7 m-85 -73.01 116.31 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.11 171.34 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.92 -48.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.95 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.3 mm-40 -49.5 -46.28 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -61.95 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.21 -42.97 78.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -51.95 -53.02 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.575 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 16.5 mtt -67.55 -44.22 78.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -46.68 87.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.69 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 3.4 tp -78.88 -54.09 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.23 -17.94 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.18 -7.69 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -109.15 -17.35 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 pt -108.98 -32.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.5 m95 59.96 41.95 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.17 155.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 44' ' ' GLN . 4.5 mt -117.91 138.99 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' ILE . 27.7 mt-30 -148.82 176.45 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' O ' ' CD ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -66.86 -34.03 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -68.78 -48.56 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.5 m-20 -75.43 -22.38 57.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.6 t0 -39.9 -39.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -50.68 69.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.7 t -68.35 -37.5 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.2 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.29 -32.05 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 19.6 tpp85 -72.5 -59.64 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -46.8 -26.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 23.6 m -61.52 -16.9 51.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 108.263 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 4.2 pt20 -98.1 -33.56 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -72.02 -23.7 61.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.579 HG23 ' CE2' ' A' ' 54' ' ' PHE . 28.9 p -116.44 -37.83 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.28 -2.06 60.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 64' ' ' VAL . 72.7 t -75.62 142.81 74.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 147.12 33.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.065 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.89 -35.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -75.51 -50.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -52.02 -28.6 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -74.81 -72.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' TRP . 28.2 m -48.52 -45.44 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 82.7 t90 -38.53 -62.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE1' ' HE3' ' A' ' 32' ' ' MET . 47.3 m-85 -72.41 116.08 12.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.52 168.05 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.74 -39.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -65.3 -71.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 32' ' ' MET . 11.6 mm-40 -46.9 -47.77 21.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.3 mt-10 -57.92 -35.39 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -62.61 -49.66 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -70.34 -45.71 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -45.92 91.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -65.59 -28.25 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -79.05 -53.76 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -57.87 -16.24 11.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -90.0 -7.59 53.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.38 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.452 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 38.7 pt -107.35 -30.44 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.37 27.2 6.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.4 m95 62.33 33.24 16.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 7.2 ttp-105 -136.62 151.0 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 69' ' ' LEU . 3.4 mp -123.39 132.87 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.52 -177.64 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.05 -13.88 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -83.26 -55.57 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' VAL . 53.4 m-20 -70.47 -12.76 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.63 -40.43 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.81 84.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.412 HG23 ' NH1' ' A' ' 38' ' ' ARG . 5.3 t -72.07 -39.18 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.74 -67.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.42 -37.0 35.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.59 -52.6 24.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.14 -29.11 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 94.7 m -71.52 -11.43 60.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.26 -34.28 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.05 -36.52 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.572 HG23 ' CE2' ' A' ' 54' ' ' PHE . 77.9 p -92.55 -47.6 7.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -3.4 53.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 64' ' ' VAL . 86.5 t -74.03 141.55 78.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.599 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.0 148.28 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -58.58 -55.34 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -47.6 -27.74 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.599 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -78.96 -60.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 2.8 tm? -54.44 -24.97 22.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -66.37 -70.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.88 -33.53 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.513 ' CG ' ' HE2' ' A' ' 32' ' ' MET . 76.4 t90 -41.87 -59.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD1' ' CD1' ' A' ' 43' ' ' ILE . 4.0 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.42 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 4.4 m-85 -72.84 115.91 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -83.44 164.84 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 30' ' ' GLU . . . -35.17 -37.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 6.1 tt0 -67.14 -70.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 8.6 mm-40 -53.78 -45.46 70.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 34.1 mt-10 -56.33 -48.67 76.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.7 mmp_? -43.08 -50.75 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 11.9 mtt -66.58 -45.55 78.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -48.23 75.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.76 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 6.7 tp -74.36 -53.77 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 41' ' ' TRP . . . -56.48 -17.25 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -92.68 -8.12 44.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -108.07 -18.17 13.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 44.9 pt -111.33 -32.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.96 26.51 6.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 12.1 m95 62.14 41.3 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 8.6 ttt180 -142.64 152.45 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 6.8 mt -117.26 128.05 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -136.11 -177.86 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 1.38 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -101.4 -30.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 34.6 m-20 -90.81 -12.31 36.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.87 -47.9 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.32 -41.87 72.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -75.42 -42.28 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -56.3 -64.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.47 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -56.85 -49.53 75.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.2 t80 -54.19 -33.12 57.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 35.5 t -72.92 -17.22 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -82.12 -35.14 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 7.5 pt-20 -83.46 -37.3 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 59.1 p -93.95 -71.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' OG1' ' A' ' 58' ' ' THR . . . 125.04 2.08 7.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 75.4 t -73.85 142.84 80.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.0 140.44 25.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -48.36 -56.1 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -46.13 -35.03 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -76.31 -48.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.8 tm? -57.06 -21.89 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 10.7 ttpp -81.45 -69.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' TRP . 29.3 m -51.47 -45.83 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.3 t90 -39.14 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.9 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.585 ' N ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 7.6 m-85 -73.75 116.62 14.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -93.16 171.78 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.74 -44.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -60.66 -71.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 11.5 mm-40 -47.52 -47.98 27.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -64.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.89 -40.24 56.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.05 -45.97 79.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . 2.7 mtt -70.47 -46.63 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -44.47 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.4 tp -71.68 -50.64 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 41' ' ' TRP . . . -54.78 -42.89 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.54 -8.06 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -98.2 -49.66 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -84.88 -32.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 110.04 21.8 6.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.528 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 22.0 m95 69.83 17.55 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.44 151.06 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 7.2 mt -118.49 145.63 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 43' ' ' ILE . 9.5 mt-30 -157.33 172.07 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -63.32 -15.36 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -87.69 -36.44 17.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.6 m-20 -81.6 -20.18 40.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -38.98 -61.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -43.24 -42.66 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -75.34 -38.19 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -63.2 -57.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.44 -31.56 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 10.8 tpt180 -73.87 -48.73 28.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 9.0 t80 -51.69 -38.32 54.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 49.5 t -62.76 -16.87 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 6.6 pt-20 -88.08 -24.72 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 36.0 p -111.66 -71.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.64 -1.2 6.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 64' ' ' VAL . 67.5 t -74.05 143.42 80.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.06 138.38 22.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -47.95 49.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.05 -28.07 36.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.568 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -83.31 -49.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.3 tm? -53.38 -27.57 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 21.7 ttmt -72.17 -72.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' TRP . 21.0 m -51.09 -43.81 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.468 ' CZ2' ' HB2' ' A' ' 32' ' ' MET . 80.9 t90 -38.5 -61.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CE2' ' CD1' ' A' ' 68' ' ' TRP . 6.8 m-85 -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.98 165.12 19.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.01 -37.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.4 tt0 -68.93 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -44.5 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -54.51 -58.36 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.24 -43.07 99.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -48.02 -54.74 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 76.8 mtm -64.51 -45.52 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -42.87 66.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.32 -36.18 82.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.48 -51.22 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 41' ' ' TRP . . . -54.16 -44.37 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.03 -7.65 50.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.53 -50.01 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 42.1 pt -82.34 -32.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 107.0 33.07 3.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 14.2 m95 54.03 43.51 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -143.83 150.22 38.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.24 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 69' ' ' LEU . 2.4 mp -125.31 133.45 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -149.66 173.4 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -16.26 58.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -81.49 -56.42 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.3 m-20 -69.66 -13.58 62.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.01 -46.46 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 7.4 tt0 -57.13 -47.11 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -69.74 -38.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.21 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.66 -24.72 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 37.7 tpt85 -81.33 -35.46 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 58' ' ' THR . 73.2 t80 -65.07 -29.06 69.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 47.8 t -75.74 -8.41 56.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -91.56 -21.81 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' THR . 12.4 pt-20 -99.44 -43.2 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.556 HG23 ' CE1' ' A' ' 54' ' ' PHE . 67.8 p -91.63 -56.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.69 -0.89 27.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 64' ' ' VAL . 73.8 t -73.75 140.64 78.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.598 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.06 141.97 27.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -53.3 -48.49 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.58 -31.16 34.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.598 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.9 t -76.05 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.1 tm? -53.05 -33.73 53.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 6.6 tttp -58.74 -72.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.26 -35.45 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.5 t90 -42.1 -55.66 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 3.8 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -73.42 116.43 13.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.7 169.06 12.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.69 -41.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.1 tt0 -61.46 -68.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 8.9 mm-40 -51.92 -45.33 64.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.63 -44.61 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 6.8 mmp_? -50.4 -52.26 39.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.516 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 29.3 mtm -66.85 -41.21 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -45.67 93.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -28.99 69.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 50' ' ' VAL . 7.0 tp -78.83 -50.81 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.591 ' O ' ' CD1' ' A' ' 41' ' ' TRP . . . -61.54 -12.45 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.75 -10.93 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.28 -21.7 13.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 34.0 pt -105.45 -30.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.69 27.99 6.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 14.2 m95 60.01 40.34 18.87 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.8 OUTLIER -141.25 149.46 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 13.7 mt -112.96 137.85 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -147.0 179.56 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -80.06 1.0 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -100.33 -38.9 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 38.6 m-20 -82.69 -10.17 59.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.33 -44.21 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -40.28 85.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' LEU . 4.8 t -76.53 -42.4 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.39 -54.73 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.93 69.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -56.27 -41.94 76.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 28.4 t80 -57.91 -41.89 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 51.2 t -63.47 -15.04 56.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -85.96 -34.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 16.1 pt-20 -85.21 -33.19 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.432 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 58.0 p -100.36 -72.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.83 0.01 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 64' ' ' VAL . 79.8 t -73.83 143.09 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.96 140.2 25.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -49.31 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.85 -31.87 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.569 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.66 -47.62 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.5 tm? -56.26 -21.94 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 6.0 ttpp -78.46 -71.3 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' TRP . 25.4 m -52.14 -44.94 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.516 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 84.8 t90 -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 108.056 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.84 113.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.9 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -67.93 1.87 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -92.92 144.87 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -72.52 158.35 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.76 114.2 5.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -49.34 -58.59 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -81.13 121.9 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.15 -61.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -121.15 147.61 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.09 -62.22 1.57 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.44 112.76 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.88 -157.06 9.48 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.96 95.46 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -116.47 108.82 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 55.56 169.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' HIS . 2.8 tptt -108.89 164.43 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.22 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -68.73 -176.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.589 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -63.17 98.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.7 p -98.44 157.8 15.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 70.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 9.9 m-85 -72.21 116.5 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.69 170.14 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.38 -38.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 2.3 tt0 -64.56 -68.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 8.7 mm-40 -52.37 -45.22 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -63.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -45.16 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.1 mmp_? -49.35 -52.4 28.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.471 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.2 mtm -66.22 -42.94 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -46.81 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.43 80.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.43 HD11 ' CG2' ' A' ' 39' ' ' ILE . 18.5 tp -71.12 -51.33 25.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB2' ' CG ' ' A' ' 41' ' ' TRP . . . -53.57 -42.89 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -100.58 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.53 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 23.9 pt -83.84 -33.13 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 42' ' ' ARG . . . 108.0 43.94 1.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 35.7 m95 45.25 27.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.53 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 2.7 ptm85 -130.67 175.77 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.3 mt -138.72 137.3 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -140.84 170.09 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -4.58 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.89 -43.54 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.0 m-20 -74.28 -10.49 59.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.06 -61.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 12.3 pt-20 -42.57 -37.27 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -80.66 -47.07 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mm -53.77 -61.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.14 -47.15 81.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 21.8 tpt180 -56.47 -51.73 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 2.2 t80 -54.53 -29.23 50.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 97.5 m -73.83 -14.7 61.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -86.03 -33.39 21.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.58 -32.16 25.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 73.3 p -98.68 -66.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.13 1.16 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 86.6 t -73.95 142.56 79.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.1 Cg_endo -74.98 141.57 26.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -49.21 -56.1 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -46.63 -33.01 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.578 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -79.05 -48.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.5 tm? -55.49 -20.95 14.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -83.43 -72.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 70' ' ' HIS . 24.5 m -49.11 -45.22 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.471 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.2 t90 -38.84 -63.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' LYS . 6.7 mt -41.95 -46.27 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' VAL . 12.6 t60 -69.1 -41.45 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' TRP . 88.3 m-20 -66.29 -18.85 65.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.7 m-80 -98.78 -73.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -54.25 174.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 58.51 72.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.27 120.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.75 -157.84 29.06 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.67 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.28 130.37 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.7 p -125.5 -55.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 p -158.21 168.78 26.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -67.7 149.64 49.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.12 -128.97 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.37 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -95.09 135.84 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.0 174.42 31.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 160.02 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -158.19 95.05 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.28 117.63 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.48 131.61 26.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.49 108.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.83 116.37 8.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.75 162.23 50.29 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.69 108.48 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -109.07 112.87 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 138.43 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' HIS . 12.9 mmtt -137.75 166.24 24.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -43.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.38 77.58 9.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -157.94 73.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.22 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.585 ' CB ' ' CZ ' ' A' ' 24' ' ' PHE . 21.8 p -111.74 157.36 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.11 70.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' CB ' ' A' ' 22' ' ' THR . 13.1 m-85 -73.12 116.24 13.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.53 169.32 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.87 -40.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.49 -68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.5 mm-40 -50.24 -46.38 54.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -63.81 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.45 -41.72 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -53.93 -50.52 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 10.0 mtt -67.37 -42.39 83.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -45.43 83.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.75 74.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 tp -72.46 -51.47 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' ' CD2' ' A' ' 41' ' ' TRP . . . -54.59 -43.96 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.62 -7.78 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -50.48 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 35.7 pt -83.94 -32.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.22 32.16 3.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.498 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 20.7 m95 58.49 24.72 12.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 1.9 ttm180 -130.32 151.94 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -118.19 140.46 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.61 170.22 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -10.12 50.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -87.43 -54.3 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.8 m-20 -67.5 -13.27 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -46.4 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -56.07 -45.78 79.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.4 t -72.21 -39.38 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.06 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.06 -29.08 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.3 tpt180 -76.25 -53.59 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 0.8 OUTLIER -57.08 -23.3 45.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 66.9 m -76.98 -9.63 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -96.28 -20.03 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 8.6 pt-20 -95.98 -28.97 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.486 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 72.6 p -105.65 -28.05 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.31 2.9 88.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 88.0 t -74.16 142.03 78.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.99 143.18 28.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttp-105 -50.55 -57.74 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' NE2' ' HG3' ' A' ' 18' ' ' LYS . 11.8 tt0 -45.29 -34.04 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -76.84 -51.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.2 tm? -54.72 -22.3 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -81.75 -71.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 68' ' ' TRP . 27.5 m -49.22 -47.49 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 84.2 t90 -37.62 -63.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 mt -42.56 -49.98 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.7 t60 -64.04 -42.98 96.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -65.56 -14.65 61.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -99.82 -70.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 177.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 39.91 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 141.25 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.43 150.53 21.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.53 42.74 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.41 116.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.51 76.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -172.98 92.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.036 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.76 163.49 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 -96.1 0.12 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.02 122.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -166.11 167.37 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.38 -77.25 1.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.55 -58.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t 58.99 107.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -61.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.46 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.54 160.46 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.15 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.33 139.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.51 60.89 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.59 101.85 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -124.07 160.44 27.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? 67.23 158.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 71.15 70.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m170 45.21 68.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -173.46 50.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 36.9 p -115.58 157.25 24.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.49 66.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 14.9 m-85 -77.43 116.12 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.6 173.69 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -36.26 -49.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.77 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 12.1 mm-40 -46.74 -47.2 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -58.18 -63.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.37 -39.03 63.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -56.06 -57.56 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.55 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 12.1 mtt -60.65 -42.9 97.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -47.86 70.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.89 82.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 65' ' ' LEU . 31.4 tp -68.51 -50.24 53.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -56.38 -46.86 79.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.64 -7.91 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.34 -51.08 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 pt -84.57 -32.32 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.77 28.17 4.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.552 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 28.1 m95 65.52 13.42 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -119.1 150.42 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG12 ' CD1' ' A' ' 51' ' ' ILE . 9.5 mt -121.67 146.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' N ' HG21 ' A' ' 43' ' ' ILE . 17.5 mt-30 -160.3 177.96 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -10.34 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.56 -53.55 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.7 m-20 -70.45 -16.2 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.21 -47.61 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.2 t -73.73 -41.49 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -57.3 -71.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -44.71 24.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.97 -48.21 82.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 54' ' ' PHE . 1.8 t80 -61.77 -22.79 65.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.21 -11.24 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -97.11 -15.87 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 7.1 pt-20 -99.3 -25.71 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 66.2 p -111.04 -39.01 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.7 1.24 68.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 94.0 t -74.17 142.1 78.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.97 144.36 30.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -51.66 -57.17 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -45.93 -32.45 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -78.74 -52.51 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.5 tm? -53.21 -23.24 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 9.7 ttpp -80.02 -72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' HIS . 31.0 m -49.73 -46.15 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.55 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.8 t90 -37.94 -62.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.8 mt -43.94 -48.85 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' VAL . 10.5 t60 -64.46 -43.53 93.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.9 m-80 -62.85 -25.79 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.7 m-80 -90.61 -73.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.2 OUTLIER -50.5 172.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 82.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -70.51 107.17 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.26 -84.66 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 73.02 4.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.68 131.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.014 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 p -112.76 161.8 16.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -133.36 99.19 4.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -134.44 96.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.11 -100.77 2.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m 47.85 83.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 110.023 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -57.82 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.01 -141.04 12.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 p -146.61 164.62 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.81 104.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.07 169.41 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -177.65 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.1 66.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.55 -172.03 28.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.05 78.55 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.97 -74.53 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 16' ' ' ILE . 11.0 tt -70.01 102.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 88.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.39 118.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 14.2 ttm105 -178.93 154.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.406 ' N ' ' HG2' ' A' ' 19' ' ' ARG . 20.4 t-160 65.17 49.31 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 53.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.455 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 1.2 p -118.83 157.63 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.51 54.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 9.0 m-85 -72.49 116.54 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -91.11 171.68 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -38.62 -38.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.8 tt0 -66.35 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.1 mm-40 -50.81 -45.8 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -62.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.05 -43.74 82.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.567 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 13.2 mtm -70.67 -42.17 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -43.03 84.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.7 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 54' ' ' PHE . 39.9 tp -72.02 -50.34 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -54.85 -45.97 74.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.3 -8.0 50.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -98.04 -49.83 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 pt -81.12 -32.65 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.01 26.79 5.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 25.7 m95 64.04 21.93 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -126.82 151.51 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 7.0 mt -119.46 144.69 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' N ' HG23 ' A' ' 43' ' ' ILE . 1.1 mm-40 -158.04 168.65 26.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -14.46 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -82.87 -48.59 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.8 m-20 -75.67 -14.95 60.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.06 -45.36 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.83 -46.12 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.6 t -73.43 -36.84 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.87 -57.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.96 -28.32 68.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -78.64 -42.16 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CE2' HD23 ' A' ' 65' ' ' LEU . 60.6 t80 -56.77 -34.26 67.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -70.25 -11.35 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -93.93 -19.87 20.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 7.5 pt-20 -99.16 -30.59 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 49.6 p -106.41 -58.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.71 0.12 23.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 79.5 t -73.99 142.89 80.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.757 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -75.02 140.91 25.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -56.81 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -46.13 -33.4 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.39 -49.92 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 54' ' ' PHE . 2.1 tm? -53.23 -21.67 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 0.9 OUTLIER -81.65 -70.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' HIS . 31.4 m -50.77 -46.28 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.5 t90 -38.27 -62.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mt -43.95 -48.09 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.4 t60 -65.4 -42.72 92.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.1 m-80 -64.99 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -91.77 -74.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.3 OUTLIER -55.67 171.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.22 174.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.5 p -109.45 113.56 26.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.78 119.74 1.07 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.558 1.162 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.1 41.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m 63.6 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.75 -59.03 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -119.96 -59.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -111.74 93.8 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.52 169.35 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.31 -66.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -154.08 158.23 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.8 87.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.0 p -115.16 107.22 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -147.83 95.26 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.66 142.1 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.04 -61.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.5 116.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.08 -126.44 8.43 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.77 -110.65 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -134.5 -143.43 4.84 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -117.65 113.41 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 42.19 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 110.79 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -172.15 135.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -65.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -160.77 86.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.562 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.2 p -113.01 157.16 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 69.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 5.0 m-85 -72.55 116.36 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -89.99 174.41 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.07 -47.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.78 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.4 mm-40 -46.82 -47.32 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -59.11 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -36.63 69.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 31.8 mtm -57.64 -48.2 80.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -43.48 69.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.55 -50.7 34.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.545 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -55.07 -47.51 74.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.27 -7.96 41.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.6 pt -79.29 -32.63 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 109.21 23.93 6.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 37.3 m95 67.03 22.21 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 4.8 ttp-105 -128.2 151.14 49.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 69' ' ' LEU . 2.1 mp -127.11 133.31 68.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -142.12 173.4 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -12.15 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.96 -51.09 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 23.0 m-20 -68.57 -13.57 62.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -44.22 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -44.99 94.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -70.96 -37.95 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.02 -66.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -52.39 -29.14 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -76.73 -54.31 6.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 58' ' ' THR . 1.7 t80 -54.62 -22.42 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 20.7 t -79.82 -19.99 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.81 -21.98 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' HG22 ' A' ' 58' ' ' THR . 6.2 pt-20 -96.84 -32.57 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.522 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 77.2 p -99.57 -59.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.83 -1.15 25.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG1' HG12 ' A' ' 64' ' ' VAL . 76.4 t -74.05 142.47 79.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.591 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.04 143.27 28.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -51.44 -56.89 10.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -45.25 -35.95 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.591 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.2 t -72.79 -58.88 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 3.2 tm? -53.69 -20.76 5.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.92 -72.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.72 -36.34 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 89.6 t90 -41.56 -56.73 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 4.1 mt -48.48 -56.41 8.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -56.22 -38.18 70.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.64 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -30.58 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 72' ' ' ASN . 1.9 m-80 -86.21 -80.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 14.9 ptmt -45.52 136.8 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.18 98.78 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.8 p -131.06 88.08 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -110.86 99.99 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.34 5.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.18 132.42 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.9 p -143.2 128.82 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.2 170.42 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -150.39 -58.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 136.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -102.9 126.46 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -75.82 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.46 135.53 1.98 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.33 153.22 43.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.07 117.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.3 115.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -134.34 136.11 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.04 113.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.52 -138.68 4.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.01 -130.12 5.66 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.21 95.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.04 113.36 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 158.94 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 104.29 10.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -66.18 145.54 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 1.5 p-80 -106.94 110.27 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.86 62.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.59 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 67.9 p -118.78 158.38 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.24 67.9 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 8.3 m-85 -71.75 116.19 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.57 167.36 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.59 -40.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.17 -71.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' O ' ' SD ' ' A' ' 32' ' ' MET . 10.7 mm-40 -48.92 -47.89 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.73 -39.55 65.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -55.52 -41.5 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.572 ' CE ' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -74.48 -46.1 41.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -42.8 73.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.08 80.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.4 tp -70.72 -50.68 33.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -55.3 -45.75 76.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.78 -7.81 52.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -97.44 -50.3 4.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.5 pt -83.05 -32.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.03 23.55 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 20.7 m95 67.79 17.13 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -123.43 150.95 43.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -118.55 138.92 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.99 168.55 22.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -14.53 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.8 -51.44 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 19.9 m-20 -72.64 -15.47 61.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.98 -50.35 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -53.17 -45.37 68.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -71.89 -39.26 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.49 -69.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -49.51 -32.98 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.1 tpp85 -72.2 -54.35 9.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CZ ' HG22 ' A' ' 58' ' ' THR . 0.9 OUTLIER -54.32 -28.54 43.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 98.2 m -72.55 -11.69 60.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.6 -31.2 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 13.2 pt-20 -84.68 -32.17 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.537 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 69.8 p -98.79 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.74 0.03 34.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 93.6 t -74.1 142.23 78.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.5 Cg_endo -74.98 144.9 30.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -58.84 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -44.57 -32.41 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.96 -55.23 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 2.5 tm? -53.24 -25.97 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -77.08 -71.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' HIS . 20.5 m -50.11 -44.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 86.5 t90 -39.28 -62.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 7.1 mt -43.9 -45.92 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.3 t60 -68.43 -37.66 80.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.8 m-80 -70.12 -22.35 63.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.453 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.0 m-80 -93.12 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -62.58 172.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 89.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.553 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 146.97 33.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.4 66.49 2.81 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 60.41 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.1 m 65.19 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -158.08 109.93 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -151.02 134.75 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m 71.27 -61.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.89 -73.12 2.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.11 163.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.773 . . . . 0.0 109.954 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -172.97 146.31 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.99 -94.94 0.1 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -114.66 159.74 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.06 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.023 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.65 157.57 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 156.72 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.91 172.62 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.55 177.28 15.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.55 -143.21 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.92 -120.11 4.29 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.9 mm -83.53 98.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.14 17.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? 66.02 104.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.78 96.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.4 163.66 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.91 127.75 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 12.9 p -113.79 157.57 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.63 70.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 15.9 m-85 -75.12 116.22 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.42 168.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.22 -40.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.8 -70.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.0 mm-40 -48.85 -46.69 42.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -56.19 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.88 -40.01 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -55.9 -50.55 70.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.542 ' HE1' ' CD1' ' A' ' 24' ' ' PHE . 11.5 mtm -67.6 -41.91 83.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.02 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.51 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.74 -52.32 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.33 -43.9 68.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -73.22 -7.95 53.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.31 -50.14 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 43.7 pt -83.19 -32.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.14 29.69 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 73' ' ' LYS . 6.4 m95 57.83 39.98 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -143.69 151.17 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 6.9 mt -116.46 142.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' N ' HG23 ' A' ' 43' ' ' ILE . 2.9 mt-30 -156.08 169.07 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -18.79 65.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.63 -51.91 7.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 5.9 m-20 -70.46 -17.92 62.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -40.24 -54.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 1.6 mt-10 -45.78 -42.83 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.2 t -78.4 -39.47 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.27 -71.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ASP . 4.3 mt-30 -48.48 -32.95 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 18.5 tpp85 -72.09 -53.82 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -54.76 -27.02 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 75.3 m -75.12 -10.99 59.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -90.19 -30.51 17.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -86.32 -34.87 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.56 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 68.9 p -94.27 -52.24 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.33 1.31 47.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' HG13 ' A' ' 64' ' ' VAL . 89.6 t -73.94 142.51 79.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.582 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -74.98 143.99 29.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -51.72 -57.25 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -45.9 -31.81 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.38 -51.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.7 tm? -57.11 -23.74 49.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.0 ttmt -78.76 -67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' ASN . 32.5 m -53.22 -47.46 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 67' ' ' VAL . 86.7 t90 -37.29 -61.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' LYS . 6.0 mt -46.88 -54.73 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.84 -34.61 69.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.5 m-80 -71.28 -14.94 62.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' LYS . 4.4 m-80 -122.11 -89.47 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER 36.37 63.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -40.47 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LYS . 31.8 m -123.1 176.8 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -121.43 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 110.39 3.11 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.65 88.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.85 172.41 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 p -167.07 139.72 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.14 151.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.91 -97.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.92 84.59 2.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.74 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.81 -114.2 2.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p 46.63 90.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -172.96 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.45 90.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.07 167.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.66 86.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.26 172.55 8.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.56 -158.32 13.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.05 -177.46 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.6 mt -81.88 97.39 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 117.72 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.16 89.05 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -41.81 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.04 74.71 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.651 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 84.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 6.8 p -118.86 157.47 27.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.57 71.3 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 5.3 m-85 -75.03 115.8 15.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.75 164.97 20.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.86 -35.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.7 tt0 -69.73 -70.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -54.64 -44.76 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -53.84 -59.29 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.88 -48.92 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 1.4 mmp_? -44.31 -48.17 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 10.3 mtt -70.36 -44.67 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -45.99 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -72.26 -52.33 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -53.12 -47.55 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.76 -8.03 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -99.96 -49.37 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.6 pt -78.45 -33.11 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 105.62 32.07 4.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.1 m95 56.8 36.85 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -139.43 153.19 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 22.6 mt -125.53 115.12 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -124.18 169.77 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -11.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.32 -52.5 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' VAL . 32.5 m-20 -68.74 -16.33 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -53.27 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -43.43 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -74.05 -42.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -56.84 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -44.43 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -60.51 -52.51 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 58' ' ' THR . 1.0 OUTLIER -54.61 -26.29 31.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 84.5 m -74.95 -15.17 60.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -84.02 -33.46 24.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -84.29 -33.29 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.573 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 67.5 p -96.04 -64.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.91 -0.1 19.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 94.6 t -73.92 142.32 79.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.01 143.71 29.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.798 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -52.39 -55.86 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -46.78 -32.03 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -77.72 -53.83 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.3 tm? -54.21 -20.09 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.9 ttpm? -82.39 -72.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 t -51.25 -35.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 83.2 t90 -44.81 -56.44 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 9.9 mt -46.44 -57.76 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -56.98 -39.53 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.51 -27.74 69.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -95.18 -79.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -44.17 118.65 1.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -75.04 85.2 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.7 110.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.41 93.91 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -86.43 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.4 p -123.39 126.93 47.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -172.11 135.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.035 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.46 137.34 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.58 -77.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.33 94.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 p -157.85 153.4 26.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.13 59.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 p -178.7 165.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -139.69 86.43 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.56 96.02 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.96 113.51 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.12 129.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.24 -58.99 2.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.93 87.19 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.35 -105.96 2.94 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -82.33 94.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 152.86 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -41.31 135.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.11 -64.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -171.0 95.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.572 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.29 54.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 46.2 p -119.09 157.52 27.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.59 65.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 16.0 m-85 -73.91 116.51 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.79 170.67 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.65 -40.76 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -62.38 -71.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.2 mm-40 -49.45 -46.28 47.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.26 -61.16 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.33 -49.06 77.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 0.6 OUTLIER -47.64 -47.47 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 24' ' ' PHE . 13.3 mtm -70.62 -41.58 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -44.84 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.04 82.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 50' ' ' VAL . 33.4 tp -70.99 -49.43 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -55.61 -43.63 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -73.53 -8.15 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -46.38 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 16.0 pt -85.27 -32.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 112.05 23.59 5.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 40.4 m95 69.13 10.57 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 30.6 ptt180 -115.51 170.95 8.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 39.0 mt -131.61 138.95 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.9 mt-30 -153.43 172.02 17.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -17.59 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.27 -44.06 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' ASP . 58.5 m-20 -73.62 -21.07 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -39.08 -62.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.97 -42.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 35' ' ' LEU . 4.9 t -77.22 -41.15 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.4 mm -55.97 -50.78 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -68.37 -48.16 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -57.66 -39.93 78.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CZ ' HG23 ' A' ' 58' ' ' THR . 42.5 t80 -62.17 -45.0 95.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -62.99 -15.67 57.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -84.87 -34.25 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' OE1' ' NH1' ' A' ' 31' ' ' ARG . 6.3 pt-20 -86.46 -34.99 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 73.7 p -97.07 -71.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.48 1.01 7.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 75.0 t -74.14 142.89 79.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.02 140.13 25.02 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.18 -53.23 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -48.92 -31.97 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.63 -48.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.6 tm? -55.57 -20.72 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.1 ttpp -80.94 -70.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' ASN . 23.5 m -51.97 -44.67 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.459 ' CD2' ' ND2' ' A' ' 72' ' ' ASN . 81.8 t90 -39.27 -61.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.3 mt -44.1 -46.39 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.5 t60 -68.5 -34.86 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.0 m-80 -73.15 -17.69 61.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.2 m-80 -99.09 -68.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.3 OUTLIER -59.17 178.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.49 115.64 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -75.56 -65.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.06 -173.28 35.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 p -154.25 -58.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.2 t -77.09 84.81 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.27 -58.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 65.4 148.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.62 87.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 147.88 27.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.6 -58.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.56 89.3 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.5 p -152.06 96.8 2.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.752 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -153.15 80.85 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.11 93.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -167.63 158.43 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.49 64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.03 88.64 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.3 106.86 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.09 -156.77 22.11 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tt -102.0 112.35 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 63.51 143.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 155.22 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -161.81 48.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER 55.53 171.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 tpt180 83.77 73.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.564 ' CB ' ' CZ ' ' A' ' 24' ' ' PHE . 7.0 p -114.58 157.98 22.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 66.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CZ ' ' CB ' ' A' ' 22' ' ' THR . 9.8 m-85 -72.22 116.43 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.92 170.22 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.91 -39.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.46 -70.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.5 mm-40 -49.87 -45.73 50.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -61.7 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.59 -46.53 83.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -49.05 -52.78 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 18.7 mtm -66.04 -45.62 80.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -47.72 79.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.59 70.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.8 tp -76.54 -54.13 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -56.26 -17.45 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -92.1 -8.03 46.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -107.51 -17.12 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 21.6 pt -111.06 -32.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.35 26.24 6.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CE3' ' HG3' ' A' ' 73' ' ' LYS . 17.8 m95 61.33 39.48 15.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.14 157.08 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 7.8 mt -121.68 140.94 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' N ' HG21 ' A' ' 43' ' ' ILE . 3.9 mt-30 -156.68 178.94 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -3.93 32.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -95.07 -45.72 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 22.5 m-20 -78.48 -16.42 57.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.2 t0 -39.49 -61.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -42.86 -41.22 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.3 t -76.64 -43.82 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.08 -63.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.73 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 19.7 tpt180 -58.27 -48.3 80.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 58' ' ' THR . 16.9 t80 -54.8 -30.25 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 50.5 t -73.52 -10.43 59.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.23 -20.13 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 8.8 pt-20 -99.24 -36.47 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.572 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 74.4 p -98.14 -52.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.79 1.61 39.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 64' ' ' VAL . 99.5 t -73.92 142.24 79.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.575 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.98 141.7 27.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -49.64 -55.91 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -47.12 -31.19 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.575 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -81.02 -48.52 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.6 tm? -58.78 -17.08 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 5.6 ttpp -84.18 -69.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' TRP . 28.1 m -54.95 -47.44 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 81.8 t90 -36.54 -61.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 7.0 mt -42.29 -52.17 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . 14.0 t60 -63.86 -48.09 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -49.98 -28.35 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -95.12 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HG3' ' CE3' ' A' ' 41' ' ' TRP . 8.8 mtpt -51.1 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 65.85 112.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.596 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -173.31 172.88 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.26 154.09 8.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.8 t -102.21 94.19 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 m 60.44 159.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.17 114.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -59.16 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.12 -139.17 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -86.41 141.33 29.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 138.92 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.15 -67.08 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -45.68 140.58 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -114.8 126.75 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 70.33 -71.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -169.64 163.19 10.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.84 167.88 9.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -106.63 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.19 -80.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.05 133.6 8.05 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.07 109.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 142.41 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -123.75 68.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -155.55 99.98 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.53 -61.75 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 96.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.621 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 p -92.7 158.1 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 78.21 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.621 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 20.8 m-85 -72.52 116.64 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.11 169.74 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.34 -40.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.2 tt0 -63.04 -69.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.0 mm-40 -51.15 -45.74 61.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.51 -44.93 73.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 7.3 mmp_? -49.54 -54.0 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.562 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 16.0 mtt -66.19 -41.68 89.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -44.8 81.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -33.76 76.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.44 -51.81 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' HB2' ' CD2' ' A' ' 41' ' ' TRP . . . -53.37 -44.68 68.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.97 -7.7 50.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -99.33 -49.42 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 47.3 pt -81.82 -32.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 106.04 28.02 5.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.584 1.178 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 13.2 m95 61.44 40.09 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 11.2 ttt180 -142.03 150.83 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 7.4 mt -120.0 140.34 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 43' ' ' ILE . 3.2 mt-30 -153.55 176.23 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -6.3 42.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.59 -47.81 7.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' VAL . 49.9 m-20 -72.31 -12.49 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.1 pt-20 -43.34 -36.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -83.92 -37.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.8 mm -63.48 -58.4 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.55 -31.72 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -73.95 -49.78 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 58' ' ' THR . 12.6 t80 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 39.9 t -68.18 -16.67 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.64 -34.54 34.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 56' ' ' GLN . 6.9 pt-20 -86.9 -36.73 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.499 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 72.0 p -93.19 -71.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.88 1.63 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' HG11 ' A' ' 64' ' ' VAL . 74.2 t -73.93 142.91 80.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.578 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.99 140.57 25.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -49.2 -54.11 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -48.19 -32.39 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.578 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.46 -48.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 3.0 tm? -56.85 -23.07 41.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 6.4 ttmm -78.62 -68.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' HIS . 30.2 m -53.36 -44.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.476 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 85.1 t90 -39.46 -63.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 7.1 mt -43.45 -44.14 5.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' VAL . 12.9 t60 -69.33 -38.29 78.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 2.3 m-80 -70.06 -18.91 63.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.8 m-80 -97.72 -70.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 4.8 ptmt -53.02 177.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -138.14 104.39 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -160.44 87.26 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.44 166.5 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.03 31.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 p -157.95 145.54 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 m -151.48 126.51 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -118.41 94.48 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.83 130.54 39.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.66 -169.02 13.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -172.22 151.29 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.11 102.14 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -140.92 119.61 12.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -58.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.58 -60.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.6 142.26 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 133.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.77 -74.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.55 -174.45 33.44 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -108.2 94.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.64 173.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -65.65 106.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -57.13 153.29 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -148.51 59.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.62 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -166.55 76.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 1.2 p -118.69 146.03 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 76.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 11.1 m-85 -72.32 116.18 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -90.8 173.09 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.98 -47.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.27 -71.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.3 mm-40 -50.02 -45.92 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.7 -43.99 76.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.58 -54.29 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.561 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 22.2 mtm -65.12 -37.55 87.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -45.88 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -26.73 67.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 2.4 tp -82.23 -52.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.534 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -58.07 -16.34 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -88.76 -7.92 55.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.86 -17.77 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' CG2' ' OD2' ' A' ' 47' ' ' ASP . 25.4 pt -107.17 -32.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.64 29.3 5.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 12.7 m95 60.59 38.25 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 1.5 ttm-85 -142.05 150.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 44' ' ' GLN . 3.3 mp -116.34 157.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' N ' HG22 ' A' ' 43' ' ' ILE . 1.5 mt-30 -168.82 -175.34 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -16.92 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.45 -42.37 18.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' OD2' ' CG2' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -82.17 -14.69 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -44.56 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -57.72 -45.81 85.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.0 t -72.58 -38.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.02 -64.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.04 -26.14 35.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 11.6 tpt180 -79.96 -46.04 17.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 21.7 t80 -53.05 -32.11 45.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.75 -16.82 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -86.28 -22.42 26.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 5.4 pt-20 -97.37 -24.98 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.472 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 42.0 p -112.37 -66.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.17 2.78 10.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 68.8 t -73.98 143.36 80.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.579 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -74.96 136.3 20.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.27 -46.27 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.25 -28.6 54.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.579 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -82.67 -45.1 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 2.3 tm? -55.53 -18.89 8.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -82.64 -72.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 71' ' ' ASN . 29.2 m -53.35 -45.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.478 ' CZ2' ' OD1' ' A' ' 72' ' ' ASN . 81.7 t90 -37.99 -61.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.534 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 5.8 mt -45.79 -49.24 15.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' VAL . 8.9 t60 -65.11 -29.98 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 m-80 -80.29 -15.2 57.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.478 ' OD1' ' CZ2' ' A' ' 68' ' ' TRP . 2.6 m-80 -101.6 -72.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -58.61 126.49 27.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -87.95 154.51 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 0.5 OUTLIER 164.66 123.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.81 157.0 28.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.22 4.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -50.99 105.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -39.52 -63.6 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -101.35 103.94 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.41 87.64 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.92 127.95 7.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.28 145.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -40.35 111.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.04 -115.48 4.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t 63.19 106.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.12 82.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.32 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -104.74 -58.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.79 164.05 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.96 -140.02 3.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.7 -86.57 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.6 127.23 3.27 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 mt -78.47 97.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 94.04 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 77.16 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -153.7 110.88 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.51 112.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -64.81 127.07 30.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.573 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 33.4 p -114.27 157.66 22.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 68.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CD1' ' HE3' ' A' ' 32' ' ' MET . 5.2 m-85 -72.16 116.52 12.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -92.49 174.29 7.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.02 -71.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 9.9 mm-40 -48.58 -46.66 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -62.02 2.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.62 -41.51 73.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -56.06 -58.15 9.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.589 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.8 mtm -61.43 -46.6 89.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -43.44 86.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.44 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 3.5 tp -82.59 -52.85 6.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 41' ' ' TRP . . . -58.92 -15.54 13.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -92.11 -8.28 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.66 -17.09 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 49.9 pt -110.21 -31.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.38 26.94 6.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 73' ' ' LYS . 8.4 m95 62.09 40.63 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 12.1 ttp180 -142.65 152.73 42.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 69' ' ' LEU . 4.3 mp -120.62 140.14 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' N ' HG21 ' A' ' 43' ' ' ILE . 22.8 mt-30 -145.39 -175.53 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.336 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -82.11 1.76 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' VAL . 39.6 m-20 -83.44 -11.84 57.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -43.59 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.1 t -71.06 -35.51 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mm -65.78 -57.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.6 -27.88 69.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 56' ' ' GLN . 10.3 tpp180 -79.28 -44.53 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 41.3 t80 -54.68 -38.03 66.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 42.1 t -65.05 -14.34 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -89.02 -25.06 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 12.1 pt-20 -95.22 -26.51 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 40.1 p -110.34 -66.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.27 1.05 10.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 64' ' ' VAL . 71.7 t -73.98 143.05 80.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.58 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 139.59 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -55.82 -26.08 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -83.11 -49.72 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 1.7 tm? -55.11 -21.21 12.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -80.71 -72.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' ASN . 26.1 m -52.13 -45.58 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.589 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 74.3 t90 -37.13 -54.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 2.7 mt -53.4 -54.92 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' VAL . 8.9 t60 -58.01 -30.34 66.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.4 m-80 -79.19 -8.02 58.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' LYS . 3.4 m-80 -130.51 -90.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 5.1 mtpp 36.21 57.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 77.16 118.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t 72.31 164.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.16 99.66 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.93 6.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -129.24 134.28 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.68 86.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -105.43 80.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t 41.3 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.0 77.29 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.59 116.92 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 148.46 50.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.64 -64.36 2.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 p -101.86 157.18 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.34 158.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.17 173.73 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.26 128.77 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.02 -60.37 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.47 -81.42 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.97 -152.79 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.64 -112.97 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -74.4 96.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.63 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.11 94.95 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.49 153.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -150.6 75.75 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -154.58 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 20.4 p -114.21 157.76 22.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.09 69.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.596 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 7.3 m-85 -72.25 116.72 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.76 171.19 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -39.24 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.36 -70.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.1 mm-40 -49.71 -46.81 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -55.85 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.92 -39.98 96.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.16 -48.56 81.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 11.7 mtt -68.14 -46.02 71.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.84 92.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.07 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.3 tp -82.58 -52.49 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -56.94 -16.73 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.57 -7.61 43.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.81 -14.92 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 28.9 pt -110.42 -32.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.27 21.29 7.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CE3' ' HA ' ' A' ' 73' ' ' LYS . 39.9 m95 67.62 38.57 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 12.4 ptp180 -143.71 176.32 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 19.9 mt -138.81 143.36 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 43' ' ' ILE . 11.6 mt-30 -150.45 179.97 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.1 2.52 23.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -102.48 -32.13 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.1 m-20 -88.79 -12.04 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ILE . 14.9 m-20 -40.57 -65.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -40.78 -35.28 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.3 t -81.93 -43.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 43' ' ' ILE . 4.3 mm -59.77 -42.46 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -78.57 -36.34 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CZ ' HG23 ' A' ' 58' ' ' THR . 57.1 t80 -63.43 -47.12 83.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 44.7 t -63.0 -14.82 52.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -80.14 -32.78 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' THR . 7.0 pt-20 -92.33 -37.91 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.576 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 64.6 p -90.98 -69.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.69 -0.66 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 97.4 t -73.96 141.22 78.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.603 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.98 147.09 33.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -58.76 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.2 -33.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.603 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -74.54 -57.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.4 tm? -55.31 -20.74 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.6 tttp -78.62 -72.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' ASN . 51.0 t -53.64 -39.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 75.7 t90 -41.53 -53.56 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 3.8 mt -53.56 -58.9 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -52.23 -31.92 34.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.643 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 67' ' ' VAL . 4.6 m-20 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 8.7 m-80 -117.55 -89.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.597 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 0.8 OUTLIER 41.82 -163.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -62.86 102.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 121.38 35.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -80.76 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.02 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.59 157.2 42.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.57 152.95 45.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -139.82 115.76 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -159.67 146.59 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.16 166.93 12.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -88.24 102.54 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.99 91.95 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.18 155.47 8.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.11 134.85 34.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -48.27 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.19 152.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.17 78.74 7.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.84 94.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.43 123.82 2.48 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.87 92.62 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.19 96.42 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.1 116.59 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.18 146.44 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HD2' ' NE2' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -122.42 86.98 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -159.66 76.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' CD2' HG23 ' A' ' 64' ' ' VAL . 12.1 p-80 -136.23 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.627 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' H ' ' CD2' ' A' ' 20' ' ' HIS . 23.2 ttt85 57.43 109.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.616 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -110.4 158.0 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 84.56 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.616 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 7.7 m-85 -73.01 116.31 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.11 171.34 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.92 -48.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.95 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 10.3 mm-40 -49.5 -46.28 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -61.95 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.21 -42.97 78.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -51.95 -53.02 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.575 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 16.5 mtt -67.55 -44.22 78.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -46.68 87.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.69 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 38' ' ' ARG . 3.4 tp -78.88 -54.09 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.23 -17.94 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.18 -7.69 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -109.15 -17.35 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 37.1 pt -108.98 -32.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.5 m95 59.96 41.95 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.17 155.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 44' ' ' GLN . 4.5 mt -117.91 138.99 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' ILE . 27.7 mt-30 -148.82 176.45 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' O ' ' CD ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -66.86 -34.03 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -68.78 -48.56 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.5 m-20 -75.43 -22.38 57.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.6 t0 -39.9 -39.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -50.68 69.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.7 t -68.35 -37.5 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.2 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.29 -32.05 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 19.6 tpp85 -72.5 -59.64 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CE2' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -46.8 -26.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 23.6 m -61.52 -16.9 51.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 108.263 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 4.2 pt20 -98.1 -33.56 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -72.02 -23.7 61.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.579 HG23 ' CE2' ' A' ' 54' ' ' PHE . 28.9 p -116.44 -37.83 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.28 -2.06 60.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' HG13 ' A' ' 64' ' ' VAL . 72.7 t -75.62 142.81 74.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.93 147.12 33.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.065 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.415 ' NE2' ' HD2' ' A' ' 18' ' ' LYS . 1.7 tt0 -40.89 -35.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -75.51 -50.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -52.02 -28.6 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -74.81 -72.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' ASN . 28.2 m -48.52 -45.44 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 82.7 t90 -38.53 -62.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.2 mt -44.12 -47.62 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.5 t60 -66.61 -35.02 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.9 m-80 -72.66 -22.66 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.6 m-80 -94.06 -70.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.93 172.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.89 93.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.648 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.61 125.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.08 87.34 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 89.62 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.45 113.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.14 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -138.86 139.29 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 61.23 154.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.15 92.78 0.86 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t -107.98 123.14 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.75 84.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.04 83.89 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -164.5 106.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.026 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.51 -73.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' SER . . . 68.37 107.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 42.02 85.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.91 -59.18 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 142.31 41.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.45 72.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.03 -123.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.08 107.59 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.05 139.79 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.07 173.0 11.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 162.87 17.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -104.88 63.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 65.93 134.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.609 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 1.5 p -97.99 157.88 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 77.77 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.609 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 47.3 m-85 -72.41 116.08 12.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.52 168.05 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.74 -39.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -65.3 -71.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 32' ' ' MET . 11.6 mm-40 -46.9 -47.77 21.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.3 mt-10 -57.92 -35.39 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -62.61 -49.66 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -70.34 -45.71 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -45.92 91.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -65.59 -28.25 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tp -79.05 -53.76 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' CB ' ' CD2' ' A' ' 69' ' ' LEU . . . -57.87 -16.24 11.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -90.0 -7.59 53.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.38 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.452 ' N ' ' HG3' ' A' ' 38' ' ' ARG . 38.7 pt -107.35 -30.44 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.37 27.2 6.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.4 m95 62.33 33.24 16.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 7.2 ttp-105 -136.62 151.0 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 69' ' ' LEU . 3.4 mp -123.39 132.87 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.52 -177.64 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.05 -13.88 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -83.26 -55.57 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' VAL . 53.4 m-20 -70.47 -12.76 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.63 -40.43 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.81 84.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.412 HG23 ' NH1' ' A' ' 38' ' ' ARG . 5.3 t -72.07 -39.18 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.74 -67.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.42 -37.0 35.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.59 -52.6 24.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CE2' HG23 ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.14 -29.11 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 94.7 m -71.52 -11.43 60.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.26 -34.28 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.05 -36.52 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.572 HG23 ' CE2' ' A' ' 54' ' ' PHE . 77.9 p -92.55 -47.6 7.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -3.4 53.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 64' ' ' VAL . 86.5 t -74.03 141.55 78.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.599 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.0 148.28 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -58.58 -55.34 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -47.6 -27.74 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.599 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -78.96 -60.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 2.8 tm? -54.44 -24.97 22.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -66.37 -70.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.88 -33.53 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.513 ' CG ' ' HE2' ' A' ' 32' ' ' MET . 76.4 t90 -41.87 -59.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.592 ' CD1' ' CD1' ' A' ' 43' ' ' ILE . 4.0 mt -47.05 -57.36 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -53.28 -41.29 65.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -26.41 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.21 -82.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.13 106.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -70.89 -67.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.596 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.26 144.52 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.23 -174.27 14.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.97 6.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.62 100.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.86 105.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m -108.91 78.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.962 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -158.89 169.89 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.7 63.37 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 106.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -45.97 -58.03 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.47 132.45 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.15 79.44 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -159.64 110.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 93.08 2.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.52 127.39 49.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -129.11 -61.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.9 59.04 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.66 -70.28 2.38 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.18 124.61 6.55 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 pt -59.95 100.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 150.63 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 178.12 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 20' ' ' HIS . 25.1 ptt180 178.1 -48.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 0.4 OUTLIER 179.08 109.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.615 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -175.1 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.9 p -104.81 157.57 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.27 68.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 4.4 m-85 -72.84 115.91 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -83.44 164.84 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 30' ' ' GLU . . . -35.17 -37.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 6.1 tt0 -67.14 -70.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 8.6 mm-40 -53.78 -45.46 70.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 34.1 mt-10 -56.33 -48.67 76.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.7 mmp_? -43.08 -50.75 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 11.9 mtt -66.58 -45.55 78.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -48.23 75.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.76 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 6.7 tp -74.36 -53.77 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' O ' ' CD1' ' A' ' 41' ' ' TRP . . . -56.48 -17.25 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -92.68 -8.12 44.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -108.07 -18.17 13.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 44.9 pt -111.33 -32.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.96 26.51 6.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 12.1 m95 62.14 41.3 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 8.6 ttt180 -142.64 152.45 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 6.8 mt -117.26 128.05 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -136.11 -177.86 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 1.38 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -101.4 -30.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 34.6 m-20 -90.81 -12.31 36.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.87 -47.9 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.32 -41.87 72.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -75.42 -42.28 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -56.3 -64.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.47 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -56.85 -49.53 75.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 4.2 t80 -54.19 -33.12 57.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 35.5 t -72.92 -17.22 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -82.12 -35.14 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 7.5 pt-20 -83.46 -37.3 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 59.1 p -93.95 -71.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' OG1' ' A' ' 58' ' ' THR . . . 125.04 2.08 7.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 61' ' ' PRO . 75.4 t -73.85 142.84 80.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.3 Cg_endo -75.0 140.44 25.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -48.36 -56.1 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -46.13 -35.03 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -76.31 -48.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.8 tm? -57.06 -21.89 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 10.7 ttpp -81.45 -69.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' HIS . 29.3 m -51.47 -45.83 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.3 t90 -39.14 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' ' CB ' ' A' ' 36' ' ' ALA . 6.9 mt -43.07 -46.51 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . 10.7 t60 -67.93 -37.78 82.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' TRP . 2.2 m-80 -70.71 -17.58 62.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 3.5 m-80 -97.89 -68.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -63.21 99.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.86 165.75 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.2 p -99.1 -43.91 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.88 96.39 0.68 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.2 p -59.54 122.18 13.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.3 m -109.85 158.95 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -155.4 139.93 16.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 t -151.69 127.25 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.39 90.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -147.58 -58.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 156.49 29.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.2 -158.59 25.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.47 149.46 28.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p 56.3 167.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.31 -60.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -151.82 141.46 21.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.28 114.41 12.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.87 176.69 23.81 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.08 -121.59 0.03 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.72 78.32 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 tt -104.37 114.56 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 64.96 167.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 1.5 ttpt -79.38 84.22 5.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptt180 42.75 -165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -144.01 -69.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -133.46 140.39 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.569 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 10.8 p -118.88 157.16 28.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.585 ' N ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -160.26 56.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 22' ' ' THR . 7.6 m-85 -73.75 116.62 14.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -93.16 171.78 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.74 -44.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -60.66 -71.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 11.5 mm-40 -47.52 -47.98 27.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -64.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.89 -40.24 56.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -56.05 -45.97 79.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 68' ' ' TRP . 2.7 mtt -70.47 -46.63 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -44.47 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.4 tp -71.68 -50.64 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 41' ' ' TRP . . . -54.78 -42.89 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.54 -8.06 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -98.2 -49.66 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 24.9 pt -84.88 -32.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 110.04 21.8 6.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 73' ' ' LYS . 22.0 m95 69.83 17.55 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.44 151.06 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 7.2 mt -118.49 145.63 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' HG21 ' A' ' 43' ' ' ILE . 9.5 mt-30 -157.33 172.07 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -63.32 -15.36 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -87.69 -36.44 17.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.6 m-20 -81.6 -20.18 40.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -38.98 -61.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -43.24 -42.66 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -75.34 -38.19 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -63.2 -57.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.44 -31.56 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 10.8 tpt180 -73.87 -48.73 28.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 31' ' ' ARG . 9.0 t80 -51.69 -38.32 54.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 49.5 t -62.76 -16.87 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 6.6 pt-20 -88.08 -24.72 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.419 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 36.0 p -111.66 -71.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.64 -1.2 6.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 64' ' ' VAL . 67.5 t -74.05 143.42 80.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.568 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.06 138.38 22.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -47.95 49.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.05 -28.07 36.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.568 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -83.31 -49.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 32' ' ' MET . 2.3 tm? -53.38 -27.57 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 21.7 ttmt -72.17 -72.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' ASN . 21.0 m -51.09 -43.81 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.468 ' CZ2' ' HB2' ' A' ' 32' ' ' MET . 80.9 t90 -38.5 -61.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 5.5 mt -46.36 -47.51 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' VAL . 7.6 t60 -66.69 -28.96 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.5 m-80 -81.21 -15.19 56.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -102.42 -72.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -55.93 133.09 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.53 -70.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.598 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.7 t 74.46 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.89 142.39 22.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.44 15.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -115.03 -60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -77.46 174.57 10.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.15 -58.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 p -92.28 -58.52 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.89 111.17 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -50.81 -58.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 m -116.71 144.21 44.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.78 125.81 1.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -120.45 134.79 55.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -95.11 -58.57 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.32 113.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.58 137.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.54 160.66 4.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.31 115.13 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.122 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.43 -67.78 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.42 173.36 15.72 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.85 117.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -139.35 139.65 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 154.54 39.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -57.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -135.13 -64.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -177.03 158.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 p -112.63 157.69 20.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 70.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 6.8 m-85 -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.98 165.12 19.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.01 -37.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.4 tt0 -68.93 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -44.5 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -54.51 -58.36 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.24 -43.07 99.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -48.02 -54.74 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 76.8 mtm -64.51 -45.52 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -42.87 66.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.32 -36.18 82.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.8 tp -69.48 -51.22 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 41' ' ' TRP . . . -54.16 -44.37 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.03 -7.65 50.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.53 -50.01 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 42.1 pt -82.34 -32.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 107.0 33.07 3.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CE3' ' HA ' ' A' ' 73' ' ' LYS . 14.2 m95 54.03 43.51 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -143.83 150.22 38.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.24 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 69' ' ' LEU . 2.4 mp -125.31 133.45 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -149.66 173.4 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -16.26 58.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -81.49 -56.42 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.3 m-20 -69.66 -13.58 62.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.01 -46.46 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 7.4 tt0 -57.13 -47.11 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -69.74 -38.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.21 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.66 -24.72 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 37.7 tpt85 -81.33 -35.46 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 58' ' ' THR . 73.2 t80 -65.07 -29.06 69.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 47.8 t -75.74 -8.41 56.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -91.56 -21.81 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' THR . 12.4 pt-20 -99.44 -43.2 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.556 HG23 ' CE1' ' A' ' 54' ' ' PHE . 67.8 p -91.63 -56.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.69 -0.89 27.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 64' ' ' VAL . 73.8 t -73.75 140.64 78.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.598 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.06 141.97 27.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -53.3 -48.49 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.58 -31.16 34.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.598 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.9 t -76.05 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.1 tm? -53.05 -33.73 53.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 6.6 tttp -58.74 -72.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ASN . 59.2 t -58.26 -35.45 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.5 t90 -42.1 -55.66 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 3.8 mt -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -52.13 -27.65 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.8 m-20 -78.79 -24.68 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' LEU . 11.5 m-80 -116.43 -87.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.597 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 2.7 mtpt 41.4 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 117.14 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 p -167.23 146.96 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.74 156.92 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.5 p -74.0 156.65 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.47 -47.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -68.1 161.9 25.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t 55.87 80.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.54 62.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.2 108.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 56.77 107.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.39 166.19 15.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.78 87.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.3 m -159.22 146.73 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.2 82.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 53.11 84.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.59 168.98 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.55 112.28 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.35 143.1 46.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.23 74.32 2.51 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -118.09 115.42 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -100.34 106.94 18.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 177.36 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.7 98.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -70.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.564 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -175.53 86.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 23.4 p -94.21 157.62 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.2 68.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 18.7 m-85 -73.42 116.43 13.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.7 169.06 12.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.69 -41.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.1 tt0 -61.46 -68.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 8.9 mm-40 -51.92 -45.33 64.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.63 -44.61 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 6.8 mmp_? -50.4 -52.26 39.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.516 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 29.3 mtm -66.85 -41.21 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -45.67 93.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -28.99 69.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 50' ' ' VAL . 7.0 tp -78.83 -50.81 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.591 ' O ' ' CD1' ' A' ' 41' ' ' TRP . . . -61.54 -12.45 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.75 -10.93 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.28 -21.7 13.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 42' ' ' ARG . 34.0 pt -105.45 -30.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.69 27.99 6.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 36' ' ' ALA . 14.2 m95 60.01 40.34 18.87 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.8 OUTLIER -141.25 149.46 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 13.7 mt -112.96 137.85 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -147.0 179.56 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -80.06 1.0 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -100.33 -38.9 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 38.6 m-20 -82.69 -10.17 59.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.33 -44.21 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -40.28 85.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 35' ' ' LEU . 4.8 t -76.53 -42.4 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mm -56.39 -54.73 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.93 69.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -56.27 -41.94 76.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 28.4 t80 -57.91 -41.89 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 51.2 t -63.47 -15.04 56.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -85.96 -34.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 58' ' ' THR . 16.1 pt-20 -85.21 -33.19 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.432 ' CG2' ' HG3' ' A' ' 57' ' ' GLU . 58.0 p -100.36 -72.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.83 0.01 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 64' ' ' VAL . 79.8 t -73.83 143.09 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.4 Cg_endo -74.96 140.2 25.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -49.31 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.85 -31.87 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.569 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.66 -47.62 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 65' ' ' LEU . 2.5 tm? -56.26 -21.94 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 6.0 ttpp -78.46 -71.3 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' HIS . 25.4 m -52.14 -44.94 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.516 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 84.8 t90 -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 108.056 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.6 mt -42.65 -47.69 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.7 t60 -66.52 -41.67 88.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.8 m-20 -67.78 -10.97 57.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' HIS . 2.9 m-80 -105.83 -78.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -48.24 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' ASN . 7.2 t60 -112.62 -68.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.7 t -71.58 -60.54 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.961 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.05 169.09 0.55 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.68 6.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -110.19 104.67 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.3 p -164.47 170.95 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -72.21 116.5 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.69 170.14 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.38 -38.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 2.3 tt0 -64.56 -68.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.7 mm-40 -52.37 -45.22 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -63.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -45.16 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.1 mmp_? -49.35 -52.4 28.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.2 mtm -66.22 -42.94 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -46.81 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.43 80.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 HD21 ' A' ' 65' ' ' LEU . 18.5 tp -71.12 -51.33 25.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 41' ' ' TRP . . . -53.57 -42.89 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -100.58 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 42' ' ' ARG . 23.9 pt -83.84 -33.13 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 42' ' ' ARG . . . 108.0 43.94 1.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HA ' HD22 ' A' ' 69' ' ' LEU . 35.7 m95 45.25 27.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.7 ptm85 -130.67 175.77 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 HD12 ' A' ' 51' ' ' ILE . 21.3 mt -138.72 137.3 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -140.84 170.09 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -4.58 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.89 -43.54 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.0 m-20 -74.28 -10.49 59.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.06 -61.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 12.3 pt-20 -42.57 -37.27 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -80.66 -47.07 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.409 HD12 HG12 ' A' ' 43' ' ' ILE . 4.6 mm -53.77 -61.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -47.15 81.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 21.8 tpt180 -56.47 -51.73 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 58' ' ' THR . 2.2 t80 -54.53 -29.23 50.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 97.5 m -73.83 -14.7 61.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -86.03 -33.39 21.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.624 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.58 -32.16 25.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.3 p -98.68 -66.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.13 1.16 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.6 t -73.95 142.56 79.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.98 141.57 26.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -49.21 -56.1 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.6 tt0 -46.63 -33.01 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -79.05 -48.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.934 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -55.49 -20.95 14.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -83.43 -72.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 63' ' ' GLN . 24.5 m -49.11 -45.22 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.2 t90 -38.84 -63.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.786 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.7 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.12 116.24 13.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.53 169.32 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.87 -40.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.49 -68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -50.24 -46.38 54.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -63.81 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.45 -41.72 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -53.93 -50.52 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 10.0 mtt -67.37 -42.39 83.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -45.43 83.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.75 74.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD23 HD21 ' A' ' 65' ' ' LEU . 33.6 tp -72.46 -51.47 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.805 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.59 -43.96 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.62 -7.78 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -50.48 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.88 HD12 ' O ' ' A' ' 42' ' ' ARG . 35.7 pt -83.94 -32.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.22 32.16 3.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.805 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 58.49 24.72 12.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.88 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 ttm180 -130.32 151.94 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 66' ' ' LYS . 5.6 mt -118.19 140.46 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.61 170.22 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -10.12 50.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -87.43 -54.3 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.8 m-20 -67.5 -13.27 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -46.4 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -56.07 -45.78 79.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.4 t -72.21 -39.38 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.06 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.06 -29.08 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.3 tpt180 -76.25 -53.59 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.8 OUTLIER -57.08 -23.3 45.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 66.9 m -76.98 -9.63 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -96.28 -20.03 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.6 pt-20 -95.98 -28.97 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.725 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.6 p -105.65 -28.05 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.31 2.9 88.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 61' ' ' PRO . 88.0 t -74.16 142.03 78.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 143.18 28.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttp-105 -50.55 -57.74 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 tt0 -45.29 -34.04 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -76.84 -51.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.962 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -54.72 -22.3 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttmt -81.75 -71.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 63' ' ' GLN . 27.5 m -49.22 -47.49 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 84.2 t90 -37.62 -63.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.693 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.495 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 14.9 m-85 -77.43 116.12 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.6 173.69 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -36.26 -49.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.77 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' NE2' HG23 ' A' ' 60' ' ' VAL . 14.3 mm100 -46.74 -47.2 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -58.18 -63.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.37 -39.03 63.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -56.06 -57.56 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.55 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 12.1 mtt -60.65 -42.9 97.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -47.86 70.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.89 82.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HD21 ' A' ' 65' ' ' LEU . 31.4 tp -68.51 -50.24 53.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.894 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.38 -46.86 79.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.64 -7.91 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.34 -51.08 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 42' ' ' ARG . 10.3 pt -84.57 -32.32 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.77 28.17 4.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 28.1 m95 65.52 13.42 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 ttm180 -119.1 150.42 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 66' ' ' LYS . 9.5 mt -121.67 146.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.3 177.96 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -10.34 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.56 -53.55 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.7 m-20 -70.45 -16.2 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.21 -47.61 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.2 t -73.73 -41.49 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -57.3 -71.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -44.71 24.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.97 -48.21 82.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.8 t80 -61.77 -22.79 65.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.21 -11.24 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.401 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -97.11 -15.87 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.829 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.1 pt-20 -99.3 -25.71 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.829 HG23 ' HG3' ' A' ' 57' ' ' GLU . 66.2 p -111.04 -39.01 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.7 1.24 68.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.0 t -74.17 142.1 78.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 144.36 30.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -51.66 -57.17 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 29.5 tt0 -45.93 -32.45 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -78.74 -52.51 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.21 -23.24 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HA ' HD11 ' A' ' 43' ' ' ILE . 9.7 ttpp -80.02 -72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 63' ' ' GLN . 31.0 m -49.73 -46.15 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.55 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.8 t90 -37.94 -62.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.894 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 9.0 m-85 -72.49 116.54 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -91.11 171.68 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -38.62 -38.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.8 tt0 -66.35 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -50.81 -45.8 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -62.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.05 -43.74 82.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.567 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 13.2 mtm -70.67 -42.17 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -43.03 84.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.7 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 65' ' ' LEU . 39.9 tp -72.02 -50.34 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.803 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -54.85 -45.97 74.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.3 -8.0 50.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -98.04 -49.83 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' ARG . 26.5 pt -81.12 -32.65 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.01 26.79 5.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 25.7 m95 64.04 21.93 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.6 ttt180 -126.82 151.51 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.722 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.0 mt -119.46 144.69 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -158.04 168.65 26.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -14.46 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -82.87 -48.59 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.8 m-20 -75.67 -14.95 60.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.06 -45.36 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.83 -46.12 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.6 t -73.43 -36.84 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.8 mm -63.87 -57.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.96 -28.32 68.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -78.64 -42.16 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.677 ' CZ ' HG21 ' A' ' 58' ' ' THR . 60.6 t80 -56.77 -34.26 67.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -70.25 -11.35 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -93.93 -19.87 20.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.848 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -99.16 -30.59 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.848 HG23 ' HG3' ' A' ' 57' ' ' GLU . 49.6 p -106.41 -58.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.71 0.12 23.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.5 t -73.99 142.89 80.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.757 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 140.91 25.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -48.78 -56.81 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 7.8 tt0 -46.13 -33.4 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.39 -49.92 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.95 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.23 -21.67 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.722 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -81.65 -70.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' TRP . 31.4 m -50.77 -46.28 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.5 t90 -38.27 -62.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.803 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.7 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CG ' ' HE1' ' A' ' 32' ' ' MET . 5.0 m-85 -72.55 116.36 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -89.99 174.41 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.07 -47.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.78 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.4 mm-40 -46.82 -47.32 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -59.11 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -36.63 69.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.755 ' HG2' HD23 ' A' ' 65' ' ' LEU . 31.8 mtm -57.64 -48.2 80.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -43.48 69.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 65' ' ' LEU . 17.8 tp -70.55 -50.7 34.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.8 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.07 -47.51 74.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.27 -7.96 41.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.6 pt -79.29 -32.63 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 109.21 23.93 6.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.634 ' HA ' HD22 ' A' ' 69' ' ' LEU . 37.3 m95 67.03 22.21 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.8 ttp-105 -128.2 151.14 49.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 69' ' ' LEU . 2.1 mp -127.11 133.31 68.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -142.12 173.4 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -12.15 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.96 -51.09 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 23.0 m-20 -68.57 -13.57 62.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -44.22 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -44.99 94.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -70.96 -37.95 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 43' ' ' ILE . 3.0 mm -63.02 -66.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -52.39 -29.14 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -76.73 -54.31 6.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.7 t80 -54.62 -22.42 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 20.7 t -79.82 -19.99 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.81 -21.98 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.2 pt-20 -96.84 -32.57 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 77.2 p -99.57 -59.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.83 -1.15 25.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 61' ' ' PRO . 76.4 t -74.05 142.47 79.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.04 143.27 28.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -51.44 -56.89 10.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -45.25 -35.95 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.591 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.2 t -72.79 -58.88 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.2 tm? -53.69 -20.76 5.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.92 -72.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.72 -36.34 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 89.6 t90 -41.56 -56.73 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 4.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.75 116.19 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.57 167.36 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.59 -40.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.17 -71.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.7 mm-40 -48.92 -47.89 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.73 -39.55 65.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -55.52 -41.5 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.698 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -74.48 -46.1 41.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -42.8 73.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.08 80.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 65' ' ' LEU . 28.4 tp -70.72 -50.68 33.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.837 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.3 -45.75 76.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.78 -7.81 52.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -97.44 -50.3 4.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.5 pt -83.05 -32.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.03 23.55 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.759 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 67.79 17.13 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 ttt180 -123.43 150.95 43.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.7 mt -118.55 138.92 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.99 168.55 22.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -14.53 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.8 -51.44 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 19.9 m-20 -72.64 -15.47 61.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.98 -50.35 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -53.17 -45.37 68.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -71.89 -39.26 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.49 -69.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -49.51 -32.98 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.1 tpp85 -72.2 -54.35 9.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.9 OUTLIER -54.32 -28.54 43.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 98.2 m -72.55 -11.69 60.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.6 -31.2 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.659 ' HG3' HG23 ' A' ' 58' ' ' THR . 13.2 pt-20 -84.68 -32.17 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.737 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 69.8 p -98.79 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.74 0.03 34.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 61' ' ' PRO . 93.6 t -74.1 142.23 78.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.9 30.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -58.84 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 67' ' ' VAL . 4.1 tt0 -44.57 -32.41 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.581 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.96 -55.23 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.876 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.24 -25.97 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HA ' HD11 ' A' ' 43' ' ' ILE . 8.0 ttmt -77.08 -71.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 63' ' ' GLN . 20.5 m -50.11 -44.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.698 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 86.5 t90 -39.28 -62.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.12 116.22 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.42 168.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.22 -40.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.8 -70.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.0 mm-40 -48.85 -46.69 42.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -56.19 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.88 -40.01 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -55.9 -50.55 70.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 65' ' ' LEU . 11.5 mtm -67.6 -41.91 83.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.02 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.51 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.74 -52.32 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.865 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.33 -43.9 68.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -73.22 -7.95 53.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.31 -50.14 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.916 HD12 ' O ' ' A' ' 42' ' ' ARG . 43.7 pt -83.19 -32.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.14 29.69 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.865 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.4 m95 57.83 39.98 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.916 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -143.69 151.17 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.9 mt -116.46 142.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -156.08 169.07 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -18.79 65.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.63 -51.91 7.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 5.9 m-20 -70.46 -17.92 62.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -40.24 -54.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 1.6 mt-10 -45.78 -42.83 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.2 t -78.4 -39.47 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.27 -71.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ASP . 4.3 mt-30 -48.48 -32.95 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 18.5 tpp85 -72.09 -53.82 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -54.76 -27.02 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.3 m -75.12 -10.99 59.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -90.19 -30.51 17.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.9 pt-20 -86.32 -34.87 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.695 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 68.9 p -94.27 -52.24 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.33 1.31 47.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 61' ' ' PRO . 89.6 t -73.94 142.51 79.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 143.99 29.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -51.72 -57.25 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.7 tt0 -45.9 -31.81 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.38 -51.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.878 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -57.11 -23.74 49.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.0 ttmt -78.76 -67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 63' ' ' GLN . 32.5 m -53.22 -47.46 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 67' ' ' VAL . 86.7 t90 -37.29 -61.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.0 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 5.3 m-85 -75.03 115.8 15.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.75 164.97 20.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.86 -35.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.7 tt0 -69.73 -70.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -54.64 -44.76 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -53.84 -59.29 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.88 -48.92 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 1.4 mmp_? -44.31 -48.17 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 10.3 mtt -70.36 -44.67 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -45.99 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -72.26 -52.33 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.12 -47.55 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.76 -8.03 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -99.96 -49.37 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 42' ' ' ARG . 39.6 pt -78.45 -33.11 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 105.62 32.07 4.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.666 ' HA ' HD22 ' A' ' 69' ' ' LEU . 24.1 m95 56.8 36.85 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.853 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.1 ttt180 -139.43 153.19 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 22.6 mt -125.53 115.12 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -124.18 169.77 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -11.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.32 -52.5 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' VAL . 32.5 m-20 -68.74 -16.33 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -53.27 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -43.43 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -74.05 -42.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.402 HD12 HG12 ' A' ' 43' ' ' ILE . 3.4 mm -56.84 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -44.43 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -60.51 -52.51 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.0 OUTLIER -54.61 -26.29 31.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.95 -15.17 60.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -84.02 -33.46 24.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 11.8 pt-20 -84.29 -33.29 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 67.5 p -96.04 -64.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.91 -0.1 19.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.6 t -73.92 142.32 79.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 143.71 29.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.798 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -52.39 -55.86 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.633 ' O ' HG23 ' A' ' 67' ' ' VAL . 15.0 tt0 -46.78 -32.03 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -77.72 -53.83 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.947 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -54.21 -20.09 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.9 ttpm? -82.39 -72.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 63' ' ' GLN . 13.3 t -51.25 -35.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 83.2 t90 -44.81 -56.44 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 41' ' ' TRP . 9.9 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.554 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 16.0 m-85 -73.91 116.51 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -87.79 170.67 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.65 -40.76 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -62.38 -71.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.495 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.2 mm-40 -49.45 -46.28 47.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.26 -61.16 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.33 -49.06 77.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 0.6 OUTLIER -47.64 -47.47 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.554 ' HE1' ' CD1' ' A' ' 24' ' ' PHE . 13.3 mtm -70.62 -41.58 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -44.84 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.04 82.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.4 tp -70.99 -49.43 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.61 -43.63 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -73.53 -8.15 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -46.38 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.0 pt -85.27 -32.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 112.05 23.59 5.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.744 ' HA ' HD22 ' A' ' 69' ' ' LEU . 40.4 m95 69.13 10.57 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 39' ' ' ILE . 30.6 ptt180 -115.51 170.95 8.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 39.0 mt -131.61 138.95 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -153.43 172.02 17.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -17.59 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.27 -44.06 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' ASP . 58.5 m-20 -73.62 -21.07 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -39.08 -62.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.97 -42.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -77.22 -41.15 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.4 mm -55.97 -50.78 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -68.37 -48.16 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -57.66 -39.93 78.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 58' ' ' THR . 42.5 t80 -62.17 -45.0 95.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.99 -15.67 57.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -84.87 -34.25 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.3 pt-20 -86.46 -34.99 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.683 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.7 p -97.07 -71.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.48 1.01 7.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.0 t -74.14 142.89 79.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.02 140.13 25.02 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.18 -53.23 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.1 tt0 -48.92 -31.97 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.63 -48.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.893 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -55.57 -20.72 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.1 ttpp -80.94 -70.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' TRP . 23.5 m -51.97 -44.67 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' VAL . 81.8 t90 -39.27 -61.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 9.8 m-85 -72.22 116.43 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.92 170.22 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.91 -39.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.46 -70.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -49.87 -45.73 50.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -61.7 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.59 -46.53 83.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -49.05 -52.78 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 18.7 mtm -66.04 -45.62 80.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -47.72 79.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.59 70.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.8 tp -76.54 -54.13 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.905 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.26 -17.45 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -92.1 -8.03 46.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.51 -17.12 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 ' HG3' ' A' ' 38' ' ' ARG . 21.6 pt -111.06 -32.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.35 26.24 6.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 17.8 m95 61.33 39.48 15.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -140.14 157.08 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.8 mt -121.68 140.94 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -156.68 178.94 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -3.93 32.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -95.07 -45.72 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.636 ' OD1' HG22 ' A' ' 39' ' ' ILE . 22.5 m-20 -78.48 -16.42 57.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.2 t0 -39.49 -61.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -42.86 -41.22 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.3 t -76.64 -43.82 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 43' ' ' ILE . 3.3 mm -56.08 -63.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.73 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 19.7 tpt180 -58.27 -48.3 80.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 58' ' ' THR . 16.9 t80 -54.8 -30.25 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 50.5 t -73.52 -10.43 59.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.23 -20.13 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.749 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.8 pt-20 -99.24 -36.47 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.849 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 74.4 p -98.14 -52.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.79 1.61 39.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 99.5 t -73.92 142.24 79.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 141.7 27.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -49.64 -55.91 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.0 tt0 -47.12 -31.19 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -81.02 -48.52 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.949 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -58.78 -17.08 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.708 ' HA ' HD11 ' A' ' 43' ' ' ILE . 5.6 ttpp -84.18 -69.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.1 m -54.95 -47.44 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 81.8 t90 -36.54 -61.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.905 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.489 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 20.8 m-85 -72.52 116.64 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.11 169.74 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.34 -40.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.2 tt0 -63.04 -69.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.515 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.0 mm-40 -51.15 -45.74 61.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.51 -44.93 73.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 7.3 mmp_? -49.54 -54.0 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 16.0 mtt -66.19 -41.68 89.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -44.8 81.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -33.76 76.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.44 -51.81 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.774 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -53.37 -44.68 68.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.97 -7.7 50.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -99.33 -49.42 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.014 HD12 ' O ' ' A' ' 42' ' ' ARG . 47.3 pt -81.82 -32.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 106.04 28.02 5.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.584 1.178 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.734 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 13.2 m95 61.44 40.09 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 1.014 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.2 ttt180 -142.03 150.83 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.4 mt -120.0 140.34 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -153.55 176.23 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -6.3 42.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.59 -47.81 7.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' VAL . 49.9 m-20 -72.31 -12.49 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.34 -36.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 49' ' ' GLU . 3.7 t -83.92 -37.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.8 mm -63.48 -58.4 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.55 -31.72 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -73.95 -49.78 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 58' ' ' THR . 12.6 t80 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 39.9 t -68.18 -16.67 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.64 -34.54 34.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.9 pt-20 -86.9 -36.73 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.601 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.0 p -93.19 -71.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.88 1.63 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 61' ' ' PRO . 74.2 t -73.93 142.91 80.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 140.57 25.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -49.2 -54.11 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.3 tm0? -48.19 -32.39 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.46 -48.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.937 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.0 tm? -56.85 -23.07 41.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.4 ttmm -78.62 -68.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' GLN . 30.2 m -53.36 -44.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 85.1 t90 -39.46 -63.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.774 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -72.32 116.18 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -90.8 173.09 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.98 -47.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.27 -71.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 9.3 mm-40 -50.02 -45.92 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.7 -43.99 76.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.58 -54.29 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.561 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 22.2 mtm -65.12 -37.55 87.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -45.88 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -26.73 67.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.4 tp -82.23 -52.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -58.07 -16.34 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -88.76 -7.92 55.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.86 -17.77 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 42' ' ' ARG . 25.4 pt -107.17 -32.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.64 29.3 5.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 69' ' ' LEU . 12.7 m95 60.59 38.25 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.966 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.5 ttm-85 -142.05 150.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 69' ' ' LEU . 3.3 mp -116.34 157.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 1.5 mt-30 -168.82 -175.34 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -16.92 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.45 -42.37 18.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -82.17 -14.69 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -44.56 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -57.72 -45.81 85.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.0 t -72.58 -38.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.02 -64.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.04 -26.14 35.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 11.6 tpt180 -79.96 -46.04 17.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 58' ' ' THR . 21.7 t80 -53.05 -32.11 45.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.75 -16.82 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -86.28 -22.42 26.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.866 ' HG3' HG23 ' A' ' 58' ' ' THR . 5.4 pt-20 -97.37 -24.98 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.866 HG23 ' HG3' ' A' ' 57' ' ' GLU . 42.0 p -112.37 -66.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.17 2.78 10.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 61' ' ' PRO . 68.8 t -73.98 143.36 80.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 136.3 20.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.27 -46.27 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.25 -28.6 54.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.579 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -82.67 -45.1 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -55.53 -18.89 8.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -82.64 -72.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' TRP . 29.2 m -53.35 -45.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 81.7 t90 -37.99 -61.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.715 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 5.2 m-85 -72.16 116.52 12.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -92.49 174.29 7.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.02 -71.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.489 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.9 mm-40 -48.58 -46.66 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -62.02 2.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.62 -41.51 73.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -56.06 -58.15 9.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.8 mtm -61.43 -46.6 89.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -43.44 86.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.44 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 3.5 tp -82.59 -52.85 6.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -58.92 -15.54 13.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -92.11 -8.28 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.66 -17.09 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.98 HD12 ' O ' ' A' ' 42' ' ' ARG . 49.9 pt -110.21 -31.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.38 26.94 6.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.946 ' HA ' HD22 ' A' ' 69' ' ' LEU . 8.4 m95 62.09 40.63 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.98 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.1 ttp180 -142.65 152.73 42.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CD1' ' A' ' 69' ' ' LEU . 4.3 mp -120.62 140.14 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -145.39 -175.53 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.336 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -82.11 1.76 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' VAL . 39.6 m-20 -83.44 -11.84 57.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -43.59 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.1 t -71.06 -35.51 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.9 mm -65.78 -57.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.6 -27.88 69.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 56' ' ' GLN . 10.3 tpp180 -79.28 -44.53 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 58' ' ' THR . 41.3 t80 -54.68 -38.03 66.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 42.1 t -65.05 -14.34 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -89.02 -25.06 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.1 pt-20 -95.22 -26.51 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 57' ' ' GLU . 40.1 p -110.34 -66.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.27 1.05 10.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 61' ' ' PRO . 71.7 t -73.98 143.05 80.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 139.59 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 51' ' ' ILE . 1.3 ttt-85 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.532 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.4 tt0 -55.82 -26.08 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -83.11 -49.72 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.864 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.7 tm? -55.11 -21.21 12.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -80.71 -72.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 63' ' ' GLN . 26.1 m -52.13 -45.58 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 74.3 t90 -37.13 -54.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' HA ' ' A' ' 41' ' ' TRP . 2.7 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.596 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 7.3 m-85 -72.25 116.72 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.76 171.19 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -39.24 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.36 -70.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.1 mm-40 -49.71 -46.81 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -55.85 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.92 -39.98 96.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.16 -48.56 81.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 11.7 mtt -68.14 -46.02 71.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.84 92.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.07 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.3 tp -82.58 -52.49 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.94 -16.73 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.57 -7.61 43.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.812 ' HE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -106.81 -14.92 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' O ' ' A' ' 42' ' ' ARG . 28.9 pt -110.42 -32.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.27 21.29 7.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.933 ' HA ' HD22 ' A' ' 69' ' ' LEU . 39.9 m95 67.62 38.57 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.938 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.4 ptp180 -143.71 176.32 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 19.9 mt -138.81 143.36 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -150.45 179.97 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.1 2.52 23.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -102.48 -32.13 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.716 ' OD2' HG22 ' A' ' 39' ' ' ILE . 4.1 m-20 -88.79 -12.04 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ILE . 14.9 m-20 -40.57 -65.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -40.78 -35.28 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.812 HG11 ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -81.93 -43.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' A' ' 62' ' ' ARG . 4.3 mm -59.77 -42.46 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -78.57 -36.34 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' A' ' 58' ' ' THR . 57.1 t80 -63.43 -47.12 83.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 44.7 t -63.0 -14.82 52.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -80.14 -32.78 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.0 pt-20 -92.33 -37.91 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 64.6 p -90.98 -69.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.69 -0.66 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 61' ' ' PRO . 97.4 t -73.96 141.22 78.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 147.09 33.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -54.62 -58.76 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.2 -33.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.603 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -74.54 -57.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.982 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.4 tm? -55.31 -20.74 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.6 tttp -78.62 -72.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' TRP . 51.0 t -53.64 -39.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 75.7 t90 -41.53 -53.56 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.933 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 7.7 m-85 -73.01 116.31 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.11 171.34 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.92 -48.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.95 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.3 mm-40 -49.5 -46.28 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -61.95 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.21 -42.97 78.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -51.95 -53.02 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HE2' HG21 ' A' ' 60' ' ' VAL . 16.5 mtt -67.55 -44.22 78.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -46.68 87.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.69 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 3.4 tp -78.88 -54.09 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.23 -17.94 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.18 -7.69 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.597 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.15 -17.35 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 42' ' ' ARG . 37.1 pt -108.98 -32.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.5 m95 59.96 41.95 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -144.17 155.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 66' ' ' LYS . 4.5 mt -117.91 138.99 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -148.82 176.45 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -66.86 -34.03 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -68.78 -48.56 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.5 m-20 -75.43 -22.38 57.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.6 t0 -39.9 -39.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -50.68 69.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.7 t -68.35 -37.5 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.2 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.29 -32.05 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 19.6 tpp85 -72.5 -59.64 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.922 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -46.8 -26.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 23.6 m -61.52 -16.9 51.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 108.263 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 4.2 pt20 -98.1 -33.56 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HG3' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -72.02 -23.7 61.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.922 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 28.9 p -116.44 -37.83 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.28 -2.06 60.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 61' ' ' PRO . 72.7 t -75.62 142.81 74.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 147.12 33.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.065 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.503 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.7 tt0 -40.89 -35.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -75.51 -50.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.899 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -52.02 -28.6 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HA ' HD11 ' A' ' 43' ' ' ILE . 15.7 ttpt -74.81 -72.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 m -48.52 -45.44 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 82.7 t90 -38.53 -62.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.686 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.655 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 47.3 m-85 -72.41 116.08 12.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.52 168.05 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.74 -39.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -65.3 -71.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 32' ' ' MET . 11.6 mm-40 -46.9 -47.77 21.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.3 mt-10 -57.92 -35.39 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -62.61 -49.66 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.96 ' SD ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -70.34 -45.71 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -45.92 91.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -65.59 -28.25 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.3 tp -79.05 -53.76 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -57.87 -16.24 11.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -90.0 -7.59 53.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.38 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.911 HD12 ' O ' ' A' ' 42' ' ' ARG . 38.7 pt -107.35 -30.44 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.37 27.2 6.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.823 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.4 m95 62.33 33.24 16.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.911 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 ttp-105 -136.62 151.0 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 69' ' ' LEU . 3.4 mp -123.39 132.87 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.52 -177.64 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.05 -13.88 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -83.26 -55.57 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' VAL . 53.4 m-20 -70.47 -12.76 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.63 -40.43 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.81 84.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -72.07 -39.18 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.74 -67.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.42 -37.0 35.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.59 -52.6 24.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.727 ' CE2' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.14 -29.11 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 94.7 m -71.52 -11.43 60.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.26 -34.28 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.5 pt-20 -82.05 -36.52 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' CE2' ' A' ' 54' ' ' PHE . 77.9 p -92.55 -47.6 7.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -3.4 53.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.595 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.5 t -74.03 141.55 78.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.599 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.0 148.28 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -58.58 -55.34 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -47.6 -27.74 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.599 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -78.96 -60.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.96 HD23 ' SD ' ' A' ' 32' ' ' MET . 2.8 tm? -54.44 -24.97 22.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.5 tttp -66.37 -70.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.88 -33.53 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CG ' ' HE3' ' A' ' 32' ' ' MET . 76.4 t90 -41.87 -59.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 41' ' ' TRP . 4.0 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' CE2' ' HD1' ' A' ' 68' ' ' TRP . 4.4 m-85 -72.84 115.91 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -83.44 164.84 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' OE2' ' A' ' 30' ' ' GLU . . . -35.17 -37.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 6.1 tt0 -67.14 -70.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 8.6 mm-40 -53.78 -45.46 70.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.79 ' OE2' ' HB1' ' A' ' 26' ' ' ALA . 34.1 mt-10 -56.33 -48.67 76.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.7 mmp_? -43.08 -50.75 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 11.9 mtt -66.58 -45.55 78.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -48.23 75.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.76 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 6.7 tp -74.36 -53.77 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.818 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.48 -17.25 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -92.68 -8.12 44.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.07 -18.17 13.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.96 HD12 ' O ' ' A' ' 42' ' ' ARG . 44.9 pt -111.33 -32.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.96 26.51 6.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 12.1 m95 62.14 41.3 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.96 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.6 ttt180 -142.64 152.45 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.8 mt -117.26 128.05 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -136.11 -177.86 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 1.38 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -101.4 -30.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 34.6 m-20 -90.81 -12.31 36.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.87 -47.9 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.32 -41.87 72.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -75.42 -42.28 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -56.3 -64.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.47 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -56.85 -49.53 75.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CZ ' HG21 ' A' ' 58' ' ' THR . 4.2 t80 -54.19 -33.12 57.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 35.5 t -72.92 -17.22 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -82.12 -35.14 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.64 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.46 -37.3 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 57' ' ' GLU . 59.1 p -93.95 -71.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' OG1' ' A' ' 58' ' ' THR . . . 125.04 2.08 7.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.4 t -73.85 142.84 80.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.0 140.44 25.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -48.36 -56.1 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.556 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.3 tt0 -46.13 -35.03 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.573 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -76.31 -48.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.936 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.8 tm? -57.06 -21.89 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 10.7 ttpp -81.45 -69.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' GLN . 29.3 m -51.47 -45.83 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.3 t90 -39.14 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.818 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.9 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.585 ' N ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -73.75 116.62 14.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -93.16 171.78 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.74 -44.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -60.66 -71.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' OE1' HG23 ' A' ' 60' ' ' VAL . 11.5 mm-40 -47.52 -47.98 27.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -64.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.89 -40.24 56.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.509 ' CD ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -56.05 -45.97 79.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 60' ' ' VAL . 2.7 mtt -70.47 -46.63 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -44.47 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 65' ' ' LEU . 31.4 tp -71.68 -50.64 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.861 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.78 -42.89 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.54 -8.06 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -98.2 -49.66 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 42' ' ' ARG . 24.9 pt -84.88 -32.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 110.04 21.8 6.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.861 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 22.0 m95 69.83 17.55 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -123.44 151.06 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.2 mt -118.49 145.63 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -157.33 172.07 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -63.32 -15.36 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -87.69 -36.44 17.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.6 m-20 -81.6 -20.18 40.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -38.98 -61.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -43.24 -42.66 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -75.34 -38.19 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -63.2 -57.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.44 -31.56 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 10.8 tpt180 -73.87 -48.73 28.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.764 ' CZ ' HG21 ' A' ' 58' ' ' THR . 9.0 t80 -51.69 -38.32 54.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 49.5 t -62.76 -16.87 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.822 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.6 pt-20 -88.08 -24.72 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' HG3' ' A' ' 57' ' ' GLU . 36.0 p -111.66 -71.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.64 -1.2 6.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.723 HG13 ' HD2' ' A' ' 61' ' ' PRO . 67.5 t -74.05 143.42 80.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.723 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 138.38 22.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -47.95 49.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.9 tt0 -54.05 -28.07 36.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.569 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -83.31 -49.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 tm? -53.38 -27.57 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HA ' HD11 ' A' ' 43' ' ' ILE . 21.7 ttmt -72.17 -72.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' TRP . 21.0 m -51.09 -43.81 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CZ2' ' HB2' ' A' ' 32' ' ' MET . 80.9 t90 -38.5 -61.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 41' ' ' TRP . 5.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CE2' ' CD1' ' A' ' 68' ' ' TRP . 6.8 m-85 -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.98 165.12 19.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.01 -37.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.4 tt0 -68.93 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 60' ' ' VAL . 13.1 mm100 -53.02 -44.5 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -54.51 -58.36 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.24 -43.07 99.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -48.02 -54.74 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 76.8 mtm -64.51 -45.52 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -42.87 66.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.32 -36.18 82.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 27.8 tp -69.48 -51.22 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.796 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.16 -44.37 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.03 -7.65 50.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.53 -50.01 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.957 HD12 ' O ' ' A' ' 42' ' ' ARG . 42.1 pt -82.34 -32.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 107.0 33.07 3.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.881 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.2 m95 54.03 43.51 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.957 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -143.83 150.22 38.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.24 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 66' ' ' LYS . 2.4 mp -125.31 133.45 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -149.66 173.4 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -16.26 58.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -81.49 -56.42 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.3 m-20 -69.66 -13.58 62.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.01 -46.46 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 7.4 tt0 -57.13 -47.11 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -69.74 -38.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.21 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.66 -24.72 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 37.7 tpt85 -81.33 -35.46 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CZ ' HG21 ' A' ' 58' ' ' THR . 73.2 t80 -65.07 -29.06 69.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 47.8 t -75.74 -8.41 56.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -91.56 -21.81 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.4 pt-20 -99.44 -43.2 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 57' ' ' GLU . 67.8 p -91.63 -56.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.69 -0.89 27.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 61' ' ' PRO . 73.8 t -73.75 140.64 78.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 141.97 27.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -53.3 -48.49 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.58 -31.16 34.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.598 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.9 t -76.05 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.05 -33.73 53.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.6 tttp -58.74 -72.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.26 -35.45 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.5 t90 -42.1 -55.66 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -73.42 116.43 13.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.7 169.06 12.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.69 -41.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.1 tt0 -61.46 -68.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.513 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.9 mm-40 -51.92 -45.33 64.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.63 -44.61 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 6.8 mmp_? -50.4 -52.26 39.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.614 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 29.3 mtm -66.85 -41.21 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -45.67 93.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -28.99 69.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 7.0 tp -78.83 -50.81 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -61.54 -12.45 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.75 -10.93 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.75 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.28 -21.7 13.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' O ' ' A' ' 42' ' ' ARG . 34.0 pt -105.45 -30.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.69 27.99 6.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.654 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 14.2 m95 60.01 40.34 18.87 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 1.036 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -141.25 149.46 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 13.7 mt -112.96 137.85 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -147.0 179.56 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -80.06 1.0 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -100.33 -38.9 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 38.6 m-20 -82.69 -10.17 59.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.33 -44.21 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -40.28 85.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.8 t -76.53 -42.4 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.7 mm -56.39 -54.73 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.93 69.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -56.27 -41.94 76.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.711 ' CZ ' HG21 ' A' ' 58' ' ' THR . 28.4 t80 -57.91 -41.89 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.47 -15.04 56.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -85.96 -34.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.777 ' HG3' HG23 ' A' ' 58' ' ' THR . 16.1 pt-20 -85.21 -33.19 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.777 HG23 ' HG3' ' A' ' 57' ' ' GLU . 58.0 p -100.36 -72.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.83 0.01 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.8 t -73.83 143.09 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 140.2 25.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HD2' HG21 ' A' ' 51' ' ' ILE . 12.4 ttp85 -49.31 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.85 -31.87 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.57 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.66 -47.62 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.953 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -56.26 -21.94 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttpp -78.46 -71.3 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' TRP . 25.4 m -52.14 -44.94 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 84.8 t90 -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 108.056 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.744 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.84 113.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.9 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -67.93 1.87 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -92.92 144.87 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -72.52 158.35 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.76 114.2 5.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -49.34 -58.59 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -81.13 121.9 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.15 -61.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -121.15 147.61 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.09 -62.22 1.57 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.44 112.76 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.88 -157.06 9.48 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.96 95.46 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -116.47 108.82 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 55.56 169.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' HIS . 2.8 tptt -108.89 164.43 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.22 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -68.73 -176.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.589 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -63.17 98.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.533 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.7 p -98.44 157.8 15.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 70.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 9.9 m-85 -72.21 116.5 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.69 170.14 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.38 -38.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 2.3 tt0 -64.56 -68.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.7 mm-40 -52.37 -45.22 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -63.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -45.16 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.1 mmp_? -49.35 -52.4 28.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.2 mtm -66.22 -42.94 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -46.81 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.43 80.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 HD21 ' A' ' 65' ' ' LEU . 18.5 tp -71.12 -51.33 25.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 41' ' ' TRP . . . -53.57 -42.89 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -100.58 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 42' ' ' ARG . 23.9 pt -83.84 -33.13 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 42' ' ' ARG . . . 108.0 43.94 1.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HA ' HD22 ' A' ' 69' ' ' LEU . 35.7 m95 45.25 27.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.7 ptm85 -130.67 175.77 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 HD12 ' A' ' 51' ' ' ILE . 21.3 mt -138.72 137.3 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -140.84 170.09 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -4.58 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.89 -43.54 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.0 m-20 -74.28 -10.49 59.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.06 -61.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 12.3 pt-20 -42.57 -37.27 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -80.66 -47.07 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 HD12 HG12 ' A' ' 43' ' ' ILE . 4.6 mm -53.77 -61.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.14 -47.15 81.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 21.8 tpt180 -56.47 -51.73 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 58' ' ' THR . 2.2 t80 -54.53 -29.23 50.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 97.5 m -73.83 -14.7 61.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -86.03 -33.39 21.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.624 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.58 -32.16 25.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.3 p -98.68 -66.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.13 1.16 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.6 t -73.95 142.56 79.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.98 141.57 26.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -49.21 -56.1 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.6 tt0 -46.63 -33.01 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -79.05 -48.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.934 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -55.49 -20.95 14.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -83.43 -72.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 63' ' ' GLN . 24.5 m -49.11 -45.22 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.2 t90 -38.84 -63.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.786 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.7 mt -41.95 -46.27 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' VAL . 12.6 t60 -69.1 -41.45 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' TRP . 88.3 m-20 -66.29 -18.85 65.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.7 m-80 -98.78 -73.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -54.25 174.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 58.51 72.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.27 120.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.75 -157.84 29.06 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.67 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.28 130.37 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.7 p -125.5 -55.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 p -158.21 168.78 26.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -67.7 149.64 49.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.12 -128.97 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.37 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -95.09 135.84 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.0 174.42 31.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 160.02 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -158.19 95.05 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.28 117.63 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.48 131.61 26.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.49 108.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.83 116.37 8.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.75 162.23 50.29 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.69 108.48 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -109.07 112.87 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 138.43 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' HIS . 12.9 mmtt -137.75 166.24 24.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -43.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.38 77.58 9.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -157.94 73.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.22 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.585 ' CB ' ' CZ ' ' A' ' 24' ' ' PHE . 21.8 p -111.74 157.36 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.11 70.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' CB ' ' A' ' 22' ' ' THR . 13.1 m-85 -73.12 116.24 13.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.53 169.32 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.87 -40.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.49 -68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -50.24 -46.38 54.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -63.81 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.45 -41.72 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -53.93 -50.52 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 10.0 mtt -67.37 -42.39 83.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -45.43 83.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.75 74.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD23 HD21 ' A' ' 65' ' ' LEU . 33.6 tp -72.46 -51.47 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.805 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.59 -43.96 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.62 -7.78 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -50.48 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.88 HD12 ' O ' ' A' ' 42' ' ' ARG . 35.7 pt -83.94 -32.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.22 32.16 3.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.805 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 58.49 24.72 12.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.88 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 ttm180 -130.32 151.94 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 66' ' ' LYS . 5.6 mt -118.19 140.46 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.61 170.22 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -10.12 50.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -87.43 -54.3 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.8 m-20 -67.5 -13.27 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -46.4 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -56.07 -45.78 79.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.4 t -72.21 -39.38 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.06 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.06 -29.08 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.3 tpt180 -76.25 -53.59 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.8 OUTLIER -57.08 -23.3 45.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 66.9 m -76.98 -9.63 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -96.28 -20.03 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.6 pt-20 -95.98 -28.97 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.725 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.6 p -105.65 -28.05 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.31 2.9 88.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 61' ' ' PRO . 88.0 t -74.16 142.03 78.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 143.18 28.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttp-105 -50.55 -57.74 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 tt0 -45.29 -34.04 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -76.84 -51.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.962 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -54.72 -22.3 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttmt -81.75 -71.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 63' ' ' GLN . 27.5 m -49.22 -47.49 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 84.2 t90 -37.62 -63.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.693 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt -42.56 -49.98 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.7 t60 -64.04 -42.98 96.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' VAL . 89.9 m-20 -65.56 -14.65 61.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -99.82 -70.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 177.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 39.91 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 141.25 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.43 150.53 21.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.53 42.74 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.41 116.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.51 76.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -172.98 92.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.036 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.76 163.49 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 -96.1 0.12 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.02 122.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -166.11 167.37 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.38 -77.25 1.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.55 -58.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t 58.99 107.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -61.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.46 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.54 160.46 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.15 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.33 139.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.51 60.89 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.59 101.85 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -124.07 160.44 27.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? 67.23 158.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 71.15 70.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m170 45.21 68.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -173.46 50.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 36.9 p -115.58 157.25 24.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.49 66.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 14.9 m-85 -77.43 116.12 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.6 173.69 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -36.26 -49.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.77 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' NE2' HG23 ' A' ' 60' ' ' VAL . 14.3 mm100 -46.74 -47.2 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -58.18 -63.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.37 -39.03 63.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -56.06 -57.56 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.55 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 12.1 mtt -60.65 -42.9 97.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -47.86 70.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.89 82.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HD21 ' A' ' 65' ' ' LEU . 31.4 tp -68.51 -50.24 53.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.894 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.38 -46.86 79.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.64 -7.91 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.34 -51.08 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 42' ' ' ARG . 10.3 pt -84.57 -32.32 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.77 28.17 4.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 28.1 m95 65.52 13.42 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 ttm180 -119.1 150.42 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 66' ' ' LYS . 9.5 mt -121.67 146.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.3 177.96 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -10.34 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.56 -53.55 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.7 m-20 -70.45 -16.2 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.21 -47.61 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.2 t -73.73 -41.49 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -57.3 -71.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -44.71 24.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.97 -48.21 82.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.8 t80 -61.77 -22.79 65.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.21 -11.24 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -97.11 -15.87 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.829 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.1 pt-20 -99.3 -25.71 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.829 HG23 ' HG3' ' A' ' 57' ' ' GLU . 66.2 p -111.04 -39.01 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.7 1.24 68.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.0 t -74.17 142.1 78.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 144.36 30.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -51.66 -57.17 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 4.8 tt0 -45.93 -32.45 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -78.74 -52.51 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.21 -23.24 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HA ' HD11 ' A' ' 43' ' ' ILE . 9.7 ttpp -80.02 -72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 63' ' ' GLN . 31.0 m -49.73 -46.15 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.55 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.8 t90 -37.94 -62.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.894 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt -43.94 -48.85 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' VAL . 10.5 t60 -64.46 -43.53 93.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.9 m-80 -62.85 -25.79 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.7 m-80 -90.61 -73.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.2 OUTLIER -50.5 172.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 82.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -70.51 107.17 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.26 -84.66 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 73.02 4.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.68 131.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.014 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 p -112.76 161.8 16.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -133.36 99.19 4.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -134.44 96.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.11 -100.77 2.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m 47.85 83.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 110.023 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -57.82 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.01 -141.04 12.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 p -146.61 164.62 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.81 104.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.07 169.41 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -177.65 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.1 66.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.55 -172.03 28.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.05 78.55 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.97 -74.53 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 16' ' ' ILE . 11.0 tt -70.01 102.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 88.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.39 118.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 14.2 ttm105 -178.93 154.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.406 ' N ' ' HG2' ' A' ' 19' ' ' ARG . 1.3 t60 65.17 49.31 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 53.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.468 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 1.2 p -118.83 157.63 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.51 54.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 9.0 m-85 -72.49 116.54 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -91.11 171.68 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -38.62 -38.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.8 tt0 -66.35 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -50.81 -45.8 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -62.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.05 -43.74 82.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.567 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 13.2 mtm -70.67 -42.17 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -43.03 84.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.7 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 65' ' ' LEU . 39.9 tp -72.02 -50.34 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.803 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -54.85 -45.97 74.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.3 -8.0 50.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -98.04 -49.83 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' ARG . 26.5 pt -81.12 -32.65 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.01 26.79 5.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 25.7 m95 64.04 21.93 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.6 ttt180 -126.82 151.51 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.722 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.0 mt -119.46 144.69 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -158.04 168.65 26.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -14.46 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -82.87 -48.59 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.8 m-20 -75.67 -14.95 60.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.06 -45.36 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.83 -46.12 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.6 t -73.43 -36.84 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.8 mm -63.87 -57.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.96 -28.32 68.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -78.64 -42.16 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.677 ' CZ ' HG21 ' A' ' 58' ' ' THR . 60.6 t80 -56.77 -34.26 67.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -70.25 -11.35 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -93.93 -19.87 20.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.848 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -99.16 -30.59 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.848 HG23 ' HG3' ' A' ' 57' ' ' GLU . 49.6 p -106.41 -58.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.71 0.12 23.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.5 t -73.99 142.89 80.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.757 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 140.91 25.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -48.78 -56.81 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 4.2 tt0 -46.13 -33.4 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.39 -49.92 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.95 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.23 -21.67 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.722 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -81.65 -70.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' HIS . 31.4 m -50.77 -46.28 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.5 t90 -38.27 -62.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.803 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.7 mt -43.95 -48.09 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.4 t60 -65.4 -42.72 92.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.1 m-80 -64.99 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -91.77 -74.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.3 OUTLIER -55.67 171.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.22 174.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.5 p -109.45 113.56 26.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.78 119.74 1.07 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.558 1.162 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.1 41.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m 63.6 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.75 -59.03 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -119.96 -59.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -111.74 93.8 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.52 169.35 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.31 -66.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -154.08 158.23 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.8 87.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.0 p -115.16 107.22 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -147.83 95.26 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.66 142.1 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.04 -61.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.5 116.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.08 -126.44 8.43 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.77 -110.65 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -134.5 -143.43 4.84 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -117.65 113.41 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 42.19 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 110.79 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -172.15 135.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -65.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -160.77 86.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.545 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.2 p -113.01 157.16 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 69.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CG ' ' HE1' ' A' ' 32' ' ' MET . 5.0 m-85 -72.55 116.36 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -89.99 174.41 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.07 -47.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.78 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.4 mm-40 -46.82 -47.32 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -59.11 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -36.63 69.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.755 ' HG2' HD23 ' A' ' 65' ' ' LEU . 31.8 mtm -57.64 -48.2 80.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -43.48 69.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 65' ' ' LEU . 17.8 tp -70.55 -50.7 34.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.8 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.07 -47.51 74.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.27 -7.96 41.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.6 pt -79.29 -32.63 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 109.21 23.93 6.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.634 ' HA ' HD22 ' A' ' 69' ' ' LEU . 37.3 m95 67.03 22.21 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.8 ttp-105 -128.2 151.14 49.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 69' ' ' LEU . 2.1 mp -127.11 133.31 68.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -142.12 173.4 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -12.15 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.96 -51.09 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 23.0 m-20 -68.57 -13.57 62.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -44.22 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -44.99 94.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -70.96 -37.95 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 43' ' ' ILE . 3.0 mm -63.02 -66.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -52.39 -29.14 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -76.73 -54.31 6.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.7 t80 -54.62 -22.42 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 20.7 t -79.82 -19.99 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.81 -21.98 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.2 pt-20 -96.84 -32.57 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 77.2 p -99.57 -59.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.83 -1.15 25.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 61' ' ' PRO . 76.4 t -74.05 142.47 79.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.04 143.27 28.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -51.44 -56.89 10.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -45.25 -35.95 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.591 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.2 t -72.79 -58.88 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.2 tm? -53.69 -20.76 5.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.92 -72.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.72 -36.34 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 89.6 t90 -41.56 -56.73 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 4.1 mt -48.48 -56.41 8.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -56.22 -38.18 70.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.64 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -30.58 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' ASN . 1.9 m-80 -86.21 -80.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 14.9 ptmt -45.52 136.8 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.18 98.78 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.8 p -131.06 88.08 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -110.86 99.99 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.34 5.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.18 132.42 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.9 p -143.2 128.82 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.2 170.42 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -150.39 -58.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 136.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -102.9 126.46 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -75.82 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.46 135.53 1.98 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.33 153.22 43.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.07 117.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.3 115.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -134.34 136.11 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.04 113.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.52 -138.68 4.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.01 -130.12 5.66 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.21 95.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.04 113.36 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 158.94 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 104.29 10.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -66.18 145.54 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 1.5 p-80 -106.94 110.27 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.86 62.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.549 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 67.9 p -118.78 158.38 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.24 67.9 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 8.3 m-85 -71.75 116.19 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.57 167.36 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.59 -40.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.17 -71.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.7 mm-40 -48.92 -47.89 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.73 -39.55 65.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -55.52 -41.5 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.698 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -74.48 -46.1 41.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -42.8 73.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.08 80.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 65' ' ' LEU . 28.4 tp -70.72 -50.68 33.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.837 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.3 -45.75 76.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.78 -7.81 52.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -97.44 -50.3 4.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.5 pt -83.05 -32.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.03 23.55 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.759 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 67.79 17.13 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 ttt180 -123.43 150.95 43.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.7 mt -118.55 138.92 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.99 168.55 22.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -14.53 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.8 -51.44 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 19.9 m-20 -72.64 -15.47 61.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.98 -50.35 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -53.17 -45.37 68.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -71.89 -39.26 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.49 -69.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -49.51 -32.98 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.1 tpp85 -72.2 -54.35 9.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.9 OUTLIER -54.32 -28.54 43.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 98.2 m -72.55 -11.69 60.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.6 -31.2 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.659 ' HG3' HG23 ' A' ' 58' ' ' THR . 13.2 pt-20 -84.68 -32.17 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.737 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 69.8 p -98.79 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.74 0.03 34.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 61' ' ' PRO . 93.6 t -74.1 142.23 78.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.9 30.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -58.84 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 67' ' ' VAL . 4.1 tt0 -44.57 -32.41 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.581 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.96 -55.23 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.876 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.24 -25.97 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HA ' HD11 ' A' ' 43' ' ' ILE . 8.0 ttmt -77.08 -71.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 63' ' ' GLN . 20.5 m -50.11 -44.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.698 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 86.5 t90 -39.28 -62.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt -43.9 -45.92 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.3 t60 -68.43 -37.66 80.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.8 m-80 -70.12 -22.35 63.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.453 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.0 m-80 -93.12 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -62.58 172.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 89.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.553 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 146.97 33.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.4 66.49 2.81 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 60.41 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.1 m 65.19 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -158.08 109.93 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -151.02 134.75 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m 71.27 -61.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.89 -73.12 2.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.11 163.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.773 . . . . 0.0 109.954 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -172.97 146.31 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.99 -94.94 0.1 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -114.66 159.74 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.06 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.023 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.65 157.57 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 156.72 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.91 172.62 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.55 177.28 15.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.55 -143.21 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.92 -120.11 4.29 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.9 mm -83.53 98.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.14 17.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? 66.02 104.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.78 96.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.4 163.66 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.91 127.75 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.553 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 12.9 p -113.79 157.57 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.63 70.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.553 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 15.9 m-85 -75.12 116.22 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.42 168.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.22 -40.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.8 -70.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.0 mm-40 -48.85 -46.69 42.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -56.19 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.88 -40.01 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -55.9 -50.55 70.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 65' ' ' LEU . 11.5 mtm -67.6 -41.91 83.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.02 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.51 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.74 -52.32 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.865 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.33 -43.9 68.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -73.22 -7.95 53.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.31 -50.14 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.916 HD12 ' O ' ' A' ' 42' ' ' ARG . 43.7 pt -83.19 -32.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.14 29.69 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.865 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.4 m95 57.83 39.98 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.916 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -143.69 151.17 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.9 mt -116.46 142.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -156.08 169.07 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -18.79 65.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.63 -51.91 7.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 5.9 m-20 -70.46 -17.92 62.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -40.24 -54.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 1.6 mt-10 -45.78 -42.83 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.2 t -78.4 -39.47 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.27 -71.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ASP . 4.3 mt-30 -48.48 -32.95 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 18.5 tpp85 -72.09 -53.82 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -54.76 -27.02 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.3 m -75.12 -10.99 59.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -90.19 -30.51 17.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.9 pt-20 -86.32 -34.87 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.695 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 68.9 p -94.27 -52.24 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.33 1.31 47.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 61' ' ' PRO . 89.6 t -73.94 142.51 79.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 143.99 29.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -51.72 -57.25 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.7 tt0 -45.9 -31.81 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.38 -51.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.878 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -57.11 -23.74 49.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.0 ttmt -78.76 -67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 63' ' ' GLN . 32.5 m -53.22 -47.46 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 67' ' ' VAL . 86.7 t90 -37.29 -61.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.0 mt -46.88 -54.73 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.84 -34.61 69.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.5 m-80 -71.28 -14.94 62.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' LYS . 4.4 m-80 -122.11 -89.47 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER 36.37 63.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -40.47 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LYS . 31.8 m -123.1 176.8 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -121.43 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 110.39 3.11 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.65 88.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.85 172.41 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 p -167.07 139.72 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.14 151.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.91 -97.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.92 84.59 2.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.74 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.81 -114.2 2.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p 46.63 90.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -172.96 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.45 90.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.07 167.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.66 86.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.26 172.55 8.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.56 -158.32 13.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.05 -177.46 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.6 mt -81.88 97.39 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 117.72 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.16 89.05 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -41.81 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.04 74.71 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.651 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 84.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.555 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 6.8 p -118.86 157.47 27.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.57 71.3 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 5.3 m-85 -75.03 115.8 15.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.75 164.97 20.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.86 -35.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.7 tt0 -69.73 -70.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -54.64 -44.76 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -53.84 -59.29 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.88 -48.92 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 1.4 mmp_? -44.31 -48.17 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 10.3 mtt -70.36 -44.67 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -45.99 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -72.26 -52.33 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.12 -47.55 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.76 -8.03 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -99.96 -49.37 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 42' ' ' ARG . 39.6 pt -78.45 -33.11 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 105.62 32.07 4.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.666 ' HA ' HD22 ' A' ' 69' ' ' LEU . 24.1 m95 56.8 36.85 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.853 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.1 ttt180 -139.43 153.19 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 22.6 mt -125.53 115.12 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -124.18 169.77 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -11.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.32 -52.5 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' VAL . 32.5 m-20 -68.74 -16.33 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -53.27 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -43.43 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -74.05 -42.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.402 HD12 HG12 ' A' ' 43' ' ' ILE . 3.4 mm -56.84 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -44.43 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -60.51 -52.51 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.0 OUTLIER -54.61 -26.29 31.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.95 -15.17 60.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -84.02 -33.46 24.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 11.8 pt-20 -84.29 -33.29 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 67.5 p -96.04 -64.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.91 -0.1 19.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.6 t -73.92 142.32 79.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 143.71 29.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.798 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -52.39 -55.86 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.633 ' O ' HG23 ' A' ' 67' ' ' VAL . 15.0 tt0 -46.78 -32.03 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -77.72 -53.83 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.947 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -54.21 -20.09 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.9 ttpm? -82.39 -72.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 63' ' ' GLN . 13.3 t -51.25 -35.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 83.2 t90 -44.81 -56.44 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 41' ' ' TRP . 9.9 mt -46.44 -57.76 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -56.98 -39.53 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -63.51 -27.74 69.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -95.18 -79.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -44.17 118.65 1.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -75.04 85.2 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.7 110.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.41 93.91 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -86.43 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.4 p -123.39 126.93 47.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -172.11 135.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.035 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.46 137.34 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.58 -77.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.33 94.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 p -157.85 153.4 26.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.13 59.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 p -178.7 165.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -139.69 86.43 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.56 96.02 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.96 113.51 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.12 129.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.24 -58.99 2.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.93 87.19 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.35 -105.96 2.94 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -82.33 94.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 152.86 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -41.31 135.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.11 -64.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -171.0 95.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.572 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.29 54.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.556 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 46.2 p -119.09 157.52 27.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.59 65.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 16.0 m-85 -73.91 116.51 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -87.79 170.67 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.65 -40.76 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -62.38 -71.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.495 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.2 mm-40 -49.45 -46.28 47.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.26 -61.16 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.33 -49.06 77.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 0.6 OUTLIER -47.64 -47.47 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.554 ' HE1' ' CD1' ' A' ' 24' ' ' PHE . 13.3 mtm -70.62 -41.58 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -44.84 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.04 82.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.4 tp -70.99 -49.43 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.61 -43.63 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -73.53 -8.15 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -46.38 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.0 pt -85.27 -32.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 112.05 23.59 5.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.744 ' HA ' HD22 ' A' ' 69' ' ' LEU . 40.4 m95 69.13 10.57 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 39' ' ' ILE . 30.6 ptt180 -115.51 170.95 8.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 39.0 mt -131.61 138.95 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -153.43 172.02 17.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -17.59 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.27 -44.06 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' ASP . 58.5 m-20 -73.62 -21.07 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -39.08 -62.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.97 -42.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -77.22 -41.15 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.4 mm -55.97 -50.78 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -68.37 -48.16 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -57.66 -39.93 78.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 58' ' ' THR . 42.5 t80 -62.17 -45.0 95.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.99 -15.67 57.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -84.87 -34.25 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.3 pt-20 -86.46 -34.99 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.683 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.7 p -97.07 -71.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.48 1.01 7.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.0 t -74.14 142.89 79.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.02 140.13 25.02 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.18 -53.23 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.1 tt0 -48.92 -31.97 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.63 -48.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.893 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -55.57 -20.72 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.1 ttpp -80.94 -70.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' ASN . 23.5 m -51.97 -44.67 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.459 ' CD2' ' ND2' ' A' ' 72' ' ' ASN . 81.8 t90 -39.27 -61.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.3 mt -44.1 -46.39 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.5 t60 -68.5 -34.86 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.0 m-80 -73.15 -17.69 61.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.2 m-80 -99.09 -68.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.3 OUTLIER -59.17 178.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.49 115.64 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -75.56 -65.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.06 -173.28 35.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 p -154.25 -58.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.2 t -77.09 84.81 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.27 -58.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 65.4 148.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.62 87.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 147.88 27.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.6 -58.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.56 89.3 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.5 p -152.06 96.8 2.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.752 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -153.15 80.85 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.11 93.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -167.63 158.43 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.49 64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.03 88.64 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.3 106.86 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.09 -156.77 22.11 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 16' ' ' ILE . 1.1 tt -102.0 112.35 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 63.51 143.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 155.22 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -161.81 48.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER 55.53 171.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 tpt180 83.77 73.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.564 ' CB ' ' CZ ' ' A' ' 24' ' ' PHE . 7.0 p -114.58 157.98 22.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 66.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CZ ' ' CB ' ' A' ' 22' ' ' THR . 9.8 m-85 -72.22 116.43 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.92 170.22 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.91 -39.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.46 -70.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -49.87 -45.73 50.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -61.7 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.59 -46.53 83.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -49.05 -52.78 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 18.7 mtm -66.04 -45.62 80.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -47.72 79.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.59 70.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.8 tp -76.54 -54.13 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.905 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.26 -17.45 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -92.1 -8.03 46.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.51 -17.12 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 ' HG3' ' A' ' 38' ' ' ARG . 21.6 pt -111.06 -32.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.35 26.24 6.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 17.8 m95 61.33 39.48 15.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -140.14 157.08 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.8 mt -121.68 140.94 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -156.68 178.94 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -3.93 32.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -95.07 -45.72 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.636 ' OD1' HG22 ' A' ' 39' ' ' ILE . 22.5 m-20 -78.48 -16.42 57.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.2 t0 -39.49 -61.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -42.86 -41.22 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.3 t -76.64 -43.82 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 43' ' ' ILE . 3.3 mm -56.08 -63.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.73 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 19.7 tpt180 -58.27 -48.3 80.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 58' ' ' THR . 16.9 t80 -54.8 -30.25 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 50.5 t -73.52 -10.43 59.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.23 -20.13 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.749 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.8 pt-20 -99.24 -36.47 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.849 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 74.4 p -98.14 -52.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.79 1.61 39.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 99.5 t -73.92 142.24 79.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 141.7 27.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -49.64 -55.91 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.0 tt0 -47.12 -31.19 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -81.02 -48.52 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.949 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -58.78 -17.08 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.708 ' HA ' HD11 ' A' ' 43' ' ' ILE . 5.6 ttpp -84.18 -69.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.1 m -54.95 -47.44 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 81.8 t90 -36.54 -61.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.905 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.0 mt -42.29 -52.17 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . 14.0 t60 -63.86 -48.09 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -49.98 -28.35 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -95.12 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 41' ' ' TRP . 8.8 mtpt -51.1 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 65.85 112.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.596 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -173.31 172.88 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.26 154.09 8.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.8 t -102.21 94.19 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 m 60.44 159.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.17 114.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -59.16 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.12 -139.17 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -86.41 141.33 29.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 138.92 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.15 -67.08 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -45.68 140.58 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 77.7 p -114.8 126.75 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' SER . . . 70.33 -71.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -169.64 163.19 10.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.84 167.88 9.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -106.63 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.19 -80.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.05 133.6 8.05 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.07 109.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 142.41 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -123.75 68.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -155.55 99.98 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.53 -61.75 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 96.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.619 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 p -92.7 158.1 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 78.21 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.619 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 20.8 m-85 -72.52 116.64 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.11 169.74 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.34 -40.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.2 tt0 -63.04 -69.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.515 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.0 mm-40 -51.15 -45.74 61.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.51 -44.93 73.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 7.3 mmp_? -49.54 -54.0 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 16.0 mtt -66.19 -41.68 89.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -44.8 81.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -33.76 76.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.44 -51.81 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.774 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -53.37 -44.68 68.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.97 -7.7 50.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -99.33 -49.42 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.014 HD12 ' O ' ' A' ' 42' ' ' ARG . 47.3 pt -81.82 -32.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 106.04 28.02 5.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.584 1.178 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.734 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 13.2 m95 61.44 40.09 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 1.014 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.2 ttt180 -142.03 150.83 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.4 mt -120.0 140.34 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -153.55 176.23 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -6.3 42.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.59 -47.81 7.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' VAL . 49.9 m-20 -72.31 -12.49 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.34 -36.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 49' ' ' GLU . 3.7 t -83.92 -37.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.8 mm -63.48 -58.4 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.55 -31.72 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -73.95 -49.78 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 58' ' ' THR . 12.6 t80 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 39.9 t -68.18 -16.67 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.64 -34.54 34.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.9 pt-20 -86.9 -36.73 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.601 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.0 p -93.19 -71.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.88 1.63 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 61' ' ' PRO . 74.2 t -73.93 142.91 80.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 140.57 25.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -49.2 -54.11 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.3 tm0? -48.19 -32.39 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.46 -48.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.937 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.0 tm? -56.85 -23.07 41.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.4 ttmm -78.62 -68.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' GLN . 30.2 m -53.36 -44.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 85.1 t90 -39.46 -63.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.774 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt -43.45 -44.14 5.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' VAL . 12.9 t60 -69.33 -38.29 78.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 2.3 m-80 -70.06 -18.91 63.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.8 m-80 -97.72 -70.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 4.8 ptmt -53.02 177.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -138.14 104.39 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -160.44 87.26 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.44 166.5 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.03 31.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 p -157.95 145.54 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 m -151.48 126.51 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -118.41 94.48 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.83 130.54 39.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.66 -169.02 13.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -172.22 151.29 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.11 102.14 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -140.92 119.61 12.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -58.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.58 -60.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.6 142.26 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 133.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.77 -74.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.55 -174.45 33.44 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -108.2 94.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.64 173.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -65.65 106.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -57.13 153.29 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -148.51 59.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.62 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -166.55 76.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 1.2 p -118.69 146.03 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 76.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 11.1 m-85 -72.32 116.18 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -90.8 173.09 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.98 -47.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.27 -71.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 9.3 mm-40 -50.02 -45.92 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.7 -43.99 76.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.58 -54.29 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.561 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 22.2 mtm -65.12 -37.55 87.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -45.88 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -26.73 67.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.4 tp -82.23 -52.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -58.07 -16.34 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -88.76 -7.92 55.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.86 -17.77 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 42' ' ' ARG . 25.4 pt -107.17 -32.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.64 29.3 5.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 69' ' ' LEU . 12.7 m95 60.59 38.25 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.966 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.5 ttm-85 -142.05 150.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 69' ' ' LEU . 3.3 mp -116.34 157.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 1.5 mt-30 -168.82 -175.34 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -16.92 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.45 -42.37 18.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -82.17 -14.69 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -44.56 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -57.72 -45.81 85.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.0 t -72.58 -38.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.02 -64.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.04 -26.14 35.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 11.6 tpt180 -79.96 -46.04 17.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 58' ' ' THR . 21.7 t80 -53.05 -32.11 45.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.75 -16.82 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -86.28 -22.42 26.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.866 ' HG3' HG23 ' A' ' 58' ' ' THR . 5.4 pt-20 -97.37 -24.98 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.866 HG23 ' HG3' ' A' ' 57' ' ' GLU . 42.0 p -112.37 -66.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.17 2.78 10.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 61' ' ' PRO . 68.8 t -73.98 143.36 80.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 136.3 20.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.27 -46.27 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.25 -28.6 54.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.579 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -82.67 -45.1 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -55.53 -18.89 8.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -82.64 -72.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 71' ' ' ASN . 29.2 m -53.35 -45.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 81.7 t90 -37.99 -61.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.715 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mt -45.79 -49.24 15.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' VAL . 8.9 t60 -65.11 -29.98 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 m-80 -80.29 -15.2 57.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.478 ' OD1' ' CZ2' ' A' ' 68' ' ' TRP . 2.6 m-80 -101.6 -72.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -58.61 126.49 27.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -87.95 154.51 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 0.5 OUTLIER 164.66 123.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.81 157.0 28.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.22 4.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -50.99 105.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -39.52 -63.6 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -101.35 103.94 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.41 87.64 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.92 127.95 7.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.28 145.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -40.35 111.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.04 -115.48 4.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t 63.19 106.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.12 82.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.32 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -104.74 -58.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.79 164.05 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.96 -140.02 3.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.7 -86.57 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.6 127.23 3.27 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 mt -78.47 97.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 94.04 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 77.16 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -153.7 110.88 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.51 112.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -64.81 127.07 30.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 33.4 p -114.27 157.66 22.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 68.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 5.2 m-85 -72.16 116.52 12.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -92.49 174.29 7.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.02 -71.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.489 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.9 mm-40 -48.58 -46.66 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -62.02 2.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.62 -41.51 73.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -56.06 -58.15 9.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.8 mtm -61.43 -46.6 89.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -43.44 86.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.44 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 3.5 tp -82.59 -52.85 6.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -58.92 -15.54 13.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -92.11 -8.28 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.66 -17.09 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.98 HD12 ' O ' ' A' ' 42' ' ' ARG . 49.9 pt -110.21 -31.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.38 26.94 6.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.946 ' HA ' HD22 ' A' ' 69' ' ' LEU . 8.4 m95 62.09 40.63 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.98 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.1 ttp180 -142.65 152.73 42.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CD1' ' A' ' 69' ' ' LEU . 4.3 mp -120.62 140.14 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -145.39 -175.53 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.336 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -82.11 1.76 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' VAL . 39.6 m-20 -83.44 -11.84 57.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -43.59 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.1 t -71.06 -35.51 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.9 mm -65.78 -57.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.6 -27.88 69.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 56' ' ' GLN . 10.3 tpp180 -79.28 -44.53 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 58' ' ' THR . 41.3 t80 -54.68 -38.03 66.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 42.1 t -65.05 -14.34 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -89.02 -25.06 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.1 pt-20 -95.22 -26.51 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 57' ' ' GLU . 40.1 p -110.34 -66.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.27 1.05 10.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 61' ' ' PRO . 71.7 t -73.98 143.05 80.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 139.59 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 51' ' ' ILE . 1.3 ttt-85 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.532 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.4 tt0 -55.82 -26.08 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -83.11 -49.72 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.864 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.7 tm? -55.11 -21.21 12.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -80.71 -72.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 63' ' ' GLN . 26.1 m -52.13 -45.58 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 74.3 t90 -37.13 -54.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' HA ' ' A' ' 41' ' ' TRP . 2.7 mt -53.4 -54.92 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' VAL . 8.9 t60 -58.01 -30.34 66.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.4 m-80 -79.19 -8.02 58.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' LYS . 3.4 m-80 -130.51 -90.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 5.1 mtpp 36.21 57.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 77.16 118.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t 72.31 164.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.16 99.66 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.93 6.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -129.24 134.28 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.68 86.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -105.43 80.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t 41.3 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.0 77.29 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.59 116.92 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 148.46 50.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.64 -64.36 2.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 p -101.86 157.18 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.34 158.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.17 173.73 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.26 128.77 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.02 -60.37 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.47 -81.42 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.97 -152.79 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.64 -112.97 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -74.4 96.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.63 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.11 94.95 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.49 153.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -150.6 75.75 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -154.58 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 20.4 p -114.21 157.76 22.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.09 69.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.596 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 7.3 m-85 -72.25 116.72 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.76 171.19 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -39.24 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.36 -70.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.1 mm-40 -49.71 -46.81 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -55.85 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.92 -39.98 96.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.16 -48.56 81.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 11.7 mtt -68.14 -46.02 71.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.84 92.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.07 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.3 tp -82.58 -52.49 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.94 -16.73 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.57 -7.61 43.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.812 ' HE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -106.81 -14.92 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' O ' ' A' ' 42' ' ' ARG . 28.9 pt -110.42 -32.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.27 21.29 7.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.933 ' HA ' HD22 ' A' ' 69' ' ' LEU . 39.9 m95 67.62 38.57 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.938 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.4 ptp180 -143.71 176.32 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 19.9 mt -138.81 143.36 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -150.45 179.97 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.1 2.52 23.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -102.48 -32.13 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.716 ' OD2' HG22 ' A' ' 39' ' ' ILE . 4.1 m-20 -88.79 -12.04 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ILE . 14.9 m-20 -40.57 -65.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -40.78 -35.28 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.812 HG11 ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -81.93 -43.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' A' ' 62' ' ' ARG . 4.3 mm -59.77 -42.46 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -78.57 -36.34 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' A' ' 58' ' ' THR . 57.1 t80 -63.43 -47.12 83.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 44.7 t -63.0 -14.82 52.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -80.14 -32.78 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.0 pt-20 -92.33 -37.91 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 64.6 p -90.98 -69.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.69 -0.66 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 61' ' ' PRO . 97.4 t -73.96 141.22 78.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 147.09 33.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -54.62 -58.76 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.2 -33.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.603 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -74.54 -57.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.982 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.4 tm? -55.31 -20.74 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.6 tttp -78.62 -72.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' ASN . 51.0 t -53.64 -39.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 75.7 t90 -41.53 -53.56 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt -53.56 -58.9 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -52.23 -31.92 34.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.643 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 8.7 m-80 -117.55 -89.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 0.8 OUTLIER 41.82 -163.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -62.86 102.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 121.38 35.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -80.76 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.02 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.59 157.2 42.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.57 152.95 45.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -139.82 115.76 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -159.67 146.59 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.16 166.93 12.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -88.24 102.54 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.99 91.95 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.18 155.47 8.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.11 134.85 34.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -48.27 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.19 152.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.17 78.74 7.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.84 94.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.43 123.82 2.48 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.87 92.62 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.19 96.42 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.1 116.59 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.18 146.44 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.42 86.98 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -159.66 76.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.409 ' CE1' HG22 ' A' ' 64' ' ' VAL . 5.4 p80 -136.23 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.627 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 57.43 109.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.616 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -110.4 158.0 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 84.56 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.616 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 7.7 m-85 -73.01 116.31 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.11 171.34 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.92 -48.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.95 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.3 mm-40 -49.5 -46.28 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -61.95 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.21 -42.97 78.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -51.95 -53.02 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HE2' HG21 ' A' ' 60' ' ' VAL . 16.5 mtt -67.55 -44.22 78.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -46.68 87.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.69 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 3.4 tp -78.88 -54.09 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.23 -17.94 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.18 -7.69 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.597 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.15 -17.35 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 42' ' ' ARG . 37.1 pt -108.98 -32.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.5 m95 59.96 41.95 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -144.17 155.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 66' ' ' LYS . 4.5 mt -117.91 138.99 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -148.82 176.45 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -66.86 -34.03 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -68.78 -48.56 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.5 m-20 -75.43 -22.38 57.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.6 t0 -39.9 -39.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -50.68 69.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.7 t -68.35 -37.5 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.2 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.29 -32.05 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 19.6 tpp85 -72.5 -59.64 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.922 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -46.8 -26.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 23.6 m -61.52 -16.9 51.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 108.263 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 4.2 pt20 -98.1 -33.56 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HG3' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -72.02 -23.7 61.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.922 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 28.9 p -116.44 -37.83 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.28 -2.06 60.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 61' ' ' PRO . 72.7 t -75.62 142.81 74.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 147.12 33.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.065 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.503 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -40.89 -35.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -75.51 -50.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.899 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -52.02 -28.6 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HA ' HD11 ' A' ' 43' ' ' ILE . 15.7 ttpt -74.81 -72.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 m -48.52 -45.44 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 82.7 t90 -38.53 -62.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.686 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.2 mt -44.12 -47.62 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.5 t60 -66.61 -35.02 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.9 m-80 -72.66 -22.66 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.6 m-80 -94.06 -70.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.93 172.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.89 93.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.648 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.61 125.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.08 87.34 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 89.62 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.45 113.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.14 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -138.86 139.29 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 61.23 154.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.15 92.78 0.86 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t -107.98 123.14 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.75 84.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.04 83.89 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -164.5 106.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.026 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER 66.51 -73.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' SER . . . 68.37 107.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 42.02 85.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.91 -59.18 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 142.31 41.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.45 72.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.03 -123.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.08 107.59 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.05 139.79 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.07 173.0 11.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 162.87 17.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -104.88 63.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 65.93 134.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.609 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 1.5 p -97.99 157.88 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 77.77 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.655 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 47.3 m-85 -72.41 116.08 12.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.52 168.05 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.74 -39.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -65.3 -71.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 32' ' ' MET . 11.6 mm-40 -46.9 -47.77 21.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.3 mt-10 -57.92 -35.39 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -62.61 -49.66 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.96 ' SD ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -70.34 -45.71 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -45.92 91.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -65.59 -28.25 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.3 tp -79.05 -53.76 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -57.87 -16.24 11.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -90.0 -7.59 53.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.38 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.911 HD12 ' O ' ' A' ' 42' ' ' ARG . 38.7 pt -107.35 -30.44 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.37 27.2 6.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.823 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.4 m95 62.33 33.24 16.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.911 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 ttp-105 -136.62 151.0 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 69' ' ' LEU . 3.4 mp -123.39 132.87 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.52 -177.64 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.05 -13.88 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -83.26 -55.57 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' VAL . 53.4 m-20 -70.47 -12.76 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.63 -40.43 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.81 84.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -72.07 -39.18 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.74 -67.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.42 -37.0 35.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.59 -52.6 24.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.727 ' CE2' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.14 -29.11 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 94.7 m -71.52 -11.43 60.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.26 -34.28 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.5 pt-20 -82.05 -36.52 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' CE2' ' A' ' 54' ' ' PHE . 77.9 p -92.55 -47.6 7.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -3.4 53.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.595 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.5 t -74.03 141.55 78.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.599 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.0 148.28 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -58.58 -55.34 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -47.6 -27.74 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.599 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -78.96 -60.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.96 HD23 ' SD ' ' A' ' 32' ' ' MET . 2.8 tm? -54.44 -24.97 22.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.5 tttp -66.37 -70.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.88 -33.53 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CG ' ' HE3' ' A' ' 32' ' ' MET . 76.4 t90 -41.87 -59.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 41' ' ' TRP . 4.0 mt -47.05 -57.36 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -53.28 -41.29 65.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -26.41 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.21 -82.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.13 106.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -70.89 -67.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.596 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.26 144.52 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.23 -174.27 14.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.97 6.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.62 100.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.86 105.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m -108.91 78.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.962 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -158.89 169.89 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.7 63.37 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 106.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -45.97 -58.03 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.47 132.45 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.15 79.44 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -159.64 110.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 93.08 2.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.52 127.39 49.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -129.11 -61.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.9 59.04 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.66 -70.28 2.38 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.18 124.61 6.55 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 pt -59.95 100.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 150.63 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 178.12 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 20' ' ' HIS . 25.1 ptt180 178.1 -48.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 0.4 OUTLIER 179.08 109.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.615 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -175.1 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.56 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.9 p -104.81 157.57 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.27 68.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 4.4 m-85 -72.84 115.91 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -83.44 164.84 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' OE2' ' A' ' 30' ' ' GLU . . . -35.17 -37.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 6.1 tt0 -67.14 -70.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 8.6 mm-40 -53.78 -45.46 70.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.79 ' OE2' ' HB1' ' A' ' 26' ' ' ALA . 34.1 mt-10 -56.33 -48.67 76.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.7 mmp_? -43.08 -50.75 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 11.9 mtt -66.58 -45.55 78.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -48.23 75.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.76 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 6.7 tp -74.36 -53.77 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.818 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.48 -17.25 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -92.68 -8.12 44.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.07 -18.17 13.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.96 HD12 ' O ' ' A' ' 42' ' ' ARG . 44.9 pt -111.33 -32.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.96 26.51 6.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 12.1 m95 62.14 41.3 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.96 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.6 ttt180 -142.64 152.45 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.8 mt -117.26 128.05 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -136.11 -177.86 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 1.38 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -101.4 -30.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 34.6 m-20 -90.81 -12.31 36.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.87 -47.9 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.32 -41.87 72.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -75.42 -42.28 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -56.3 -64.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.47 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -56.85 -49.53 75.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CZ ' HG21 ' A' ' 58' ' ' THR . 4.2 t80 -54.19 -33.12 57.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 35.5 t -72.92 -17.22 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -82.12 -35.14 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.64 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.46 -37.3 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 57' ' ' GLU . 59.1 p -93.95 -71.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' OG1' ' A' ' 58' ' ' THR . . . 125.04 2.08 7.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.4 t -73.85 142.84 80.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.0 140.44 25.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -48.36 -56.1 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.556 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.3 tt0 -46.13 -35.03 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.573 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -76.31 -48.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.936 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.8 tm? -57.06 -21.89 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 10.7 ttpp -81.45 -69.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' GLN . 29.3 m -51.47 -45.83 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.3 t90 -39.14 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.818 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.9 mt -43.07 -46.51 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . 10.7 t60 -67.93 -37.78 82.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' TRP . 2.2 m-80 -70.71 -17.58 62.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 3.5 m-80 -97.89 -68.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -63.21 99.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.86 165.75 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.2 p -99.1 -43.91 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.88 96.39 0.68 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.2 p -59.54 122.18 13.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.3 m -109.85 158.95 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -155.4 139.93 16.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 t -151.69 127.25 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.39 90.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -147.58 -58.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 156.49 29.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.2 -158.59 25.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.47 149.46 28.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p 56.3 167.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.31 -60.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -151.82 141.46 21.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.28 114.41 12.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.87 176.69 23.81 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.08 -121.59 0.03 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.72 78.32 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 tt -104.37 114.56 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 64.96 167.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 1.5 ttpt -79.38 84.22 5.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptt180 42.75 -165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -144.01 -69.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -133.46 140.39 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.593 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 p -118.88 157.16 28.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.585 ' N ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -160.26 56.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 7.6 m-85 -73.75 116.62 14.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -93.16 171.78 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.74 -44.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -60.66 -71.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' OE1' HG23 ' A' ' 60' ' ' VAL . 11.5 mm-40 -47.52 -47.98 27.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -64.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.89 -40.24 56.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' CD ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -56.05 -45.97 79.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 60' ' ' VAL . 2.7 mtt -70.47 -46.63 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -44.47 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 65' ' ' LEU . 31.4 tp -71.68 -50.64 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.861 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.78 -42.89 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.54 -8.06 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -98.2 -49.66 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 42' ' ' ARG . 24.9 pt -84.88 -32.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 110.04 21.8 6.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.861 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 22.0 m95 69.83 17.55 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -123.44 151.06 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.2 mt -118.49 145.63 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -157.33 172.07 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -63.32 -15.36 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -87.69 -36.44 17.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.6 m-20 -81.6 -20.18 40.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -38.98 -61.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -43.24 -42.66 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -75.34 -38.19 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -63.2 -57.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.44 -31.56 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 10.8 tpt180 -73.87 -48.73 28.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.764 ' CZ ' HG21 ' A' ' 58' ' ' THR . 9.0 t80 -51.69 -38.32 54.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 49.5 t -62.76 -16.87 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.822 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.6 pt-20 -88.08 -24.72 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' HG3' ' A' ' 57' ' ' GLU . 36.0 p -111.66 -71.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.64 -1.2 6.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.723 HG13 ' HD2' ' A' ' 61' ' ' PRO . 67.5 t -74.05 143.42 80.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.723 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 138.38 22.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -47.95 49.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.9 tt0 -54.05 -28.07 36.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.569 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -83.31 -49.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 tm? -53.38 -27.57 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HA ' HD11 ' A' ' 43' ' ' ILE . 21.7 ttmt -72.17 -72.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' ASN . 21.0 m -51.09 -43.81 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CZ2' ' HB2' ' A' ' 32' ' ' MET . 80.9 t90 -38.5 -61.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 41' ' ' TRP . 5.5 mt -46.36 -47.51 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' VAL . 7.6 t60 -66.69 -28.96 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.5 m-80 -81.21 -15.19 56.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -102.42 -72.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -55.93 133.09 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.53 -70.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.598 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.7 t 74.46 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.89 142.39 22.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.44 15.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -115.03 -60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -77.46 174.57 10.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.15 -58.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 p -92.28 -58.52 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.89 111.17 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -50.81 -58.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 m -116.71 144.21 44.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.78 125.81 1.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -120.45 134.79 55.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -95.11 -58.57 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.32 113.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.58 137.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.54 160.66 4.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.31 115.13 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.122 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.43 -67.78 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.42 173.36 15.72 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -119.85 117.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -139.35 139.65 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 154.54 39.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -57.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -135.13 -64.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -177.03 158.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 p -112.63 157.69 20.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 70.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 6.8 m-85 -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.98 165.12 19.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.01 -37.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.4 tt0 -68.93 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 60' ' ' VAL . 13.1 mm100 -53.02 -44.5 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -54.51 -58.36 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.24 -43.07 99.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -48.02 -54.74 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 76.8 mtm -64.51 -45.52 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -42.87 66.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.32 -36.18 82.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 27.8 tp -69.48 -51.22 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.796 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.16 -44.37 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.03 -7.65 50.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.53 -50.01 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.957 HD12 ' O ' ' A' ' 42' ' ' ARG . 42.1 pt -82.34 -32.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 107.0 33.07 3.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.881 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.2 m95 54.03 43.51 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.957 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -143.83 150.22 38.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.24 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 66' ' ' LYS . 2.4 mp -125.31 133.45 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -149.66 173.4 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -16.26 58.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -81.49 -56.42 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.3 m-20 -69.66 -13.58 62.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.01 -46.46 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 7.4 tt0 -57.13 -47.11 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -69.74 -38.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.21 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.66 -24.72 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 37.7 tpt85 -81.33 -35.46 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CZ ' HG21 ' A' ' 58' ' ' THR . 73.2 t80 -65.07 -29.06 69.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 47.8 t -75.74 -8.41 56.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -91.56 -21.81 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.4 pt-20 -99.44 -43.2 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 57' ' ' GLU . 67.8 p -91.63 -56.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.69 -0.89 27.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 61' ' ' PRO . 73.8 t -73.75 140.64 78.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 141.97 27.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -53.3 -48.49 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.58 -31.16 34.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.598 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.9 t -76.05 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.05 -33.73 53.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.6 tttp -58.74 -72.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ASN . 59.2 t -58.26 -35.45 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.5 t90 -42.1 -55.66 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -52.13 -27.65 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -78.79 -24.68 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' LEU . 11.5 m-80 -116.43 -87.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.556 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 2.7 mtpt 41.4 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 117.14 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 p -167.23 146.96 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.74 156.92 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.5 p -74.0 156.65 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.47 -47.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -68.1 161.9 25.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t 55.87 80.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.54 62.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.2 108.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 56.77 107.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.39 166.19 15.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.78 87.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.3 m -159.22 146.73 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.2 82.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 53.11 84.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.59 168.98 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.55 112.28 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.35 143.1 46.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.23 74.32 2.51 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -118.09 115.42 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -100.34 106.94 18.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 177.36 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.7 98.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -70.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.564 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -175.53 86.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 23.4 p -94.21 157.62 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.2 68.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.544 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 18.7 m-85 -73.42 116.43 13.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.7 169.06 12.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.69 -41.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.1 tt0 -61.46 -68.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.513 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.9 mm-40 -51.92 -45.33 64.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.63 -44.61 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 6.8 mmp_? -50.4 -52.26 39.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.614 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 29.3 mtm -66.85 -41.21 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -45.67 93.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -28.99 69.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 7.0 tp -78.83 -50.81 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -61.54 -12.45 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.75 -10.93 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.75 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.28 -21.7 13.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' O ' ' A' ' 42' ' ' ARG . 34.0 pt -105.45 -30.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.69 27.99 6.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.654 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 14.2 m95 60.01 40.34 18.87 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 1.036 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -141.25 149.46 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 13.7 mt -112.96 137.85 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -147.0 179.56 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -80.06 1.0 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -100.33 -38.9 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 38.6 m-20 -82.69 -10.17 59.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.33 -44.21 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -40.28 85.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.8 t -76.53 -42.4 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.7 mm -56.39 -54.73 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.93 69.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -56.27 -41.94 76.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.711 ' CZ ' HG21 ' A' ' 58' ' ' THR . 28.4 t80 -57.91 -41.89 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.47 -15.04 56.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -85.96 -34.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.777 ' HG3' HG23 ' A' ' 58' ' ' THR . 16.1 pt-20 -85.21 -33.19 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.777 HG23 ' HG3' ' A' ' 57' ' ' GLU . 58.0 p -100.36 -72.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.83 0.01 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.8 t -73.83 143.09 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 140.2 25.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HD2' HG21 ' A' ' 51' ' ' ILE . 12.4 ttp85 -49.31 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.85 -31.87 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.57 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.66 -47.62 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.953 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -56.26 -21.94 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttpp -78.46 -71.3 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' HIS . 25.4 m -52.14 -44.94 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 84.8 t90 -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 108.056 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.744 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.6 mt -42.65 -47.69 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.7 t60 -66.52 -41.67 88.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.8 m-20 -67.78 -10.97 57.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' HIS . 2.9 m-80 -105.83 -78.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -48.24 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' ASN . 7.2 t60 -112.62 -68.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.7 t -71.58 -60.54 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.961 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.05 169.09 0.55 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.68 6.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -110.19 104.67 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.3 p -164.47 170.95 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -72.21 116.5 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.69 170.14 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.38 -38.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 2.3 tt0 -64.56 -68.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.7 mm-40 -52.37 -45.22 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -63.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -45.16 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.1 mmp_? -49.35 -52.4 28.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.2 mtm -66.22 -42.94 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -46.81 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.43 80.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 HD21 ' A' ' 65' ' ' LEU . 18.5 tp -71.12 -51.33 25.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 41' ' ' TRP . . . -53.57 -42.89 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -100.58 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 42' ' ' ARG . 23.9 pt -83.84 -33.13 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 42' ' ' ARG . . . 108.0 43.94 1.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HA ' HD22 ' A' ' 69' ' ' LEU . 35.7 m95 45.25 27.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.7 ptm85 -130.67 175.77 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 HD12 ' A' ' 51' ' ' ILE . 21.3 mt -138.72 137.3 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -140.84 170.09 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -4.58 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.89 -43.54 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.0 m-20 -74.28 -10.49 59.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.06 -61.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 12.3 pt-20 -42.57 -37.27 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -80.66 -47.07 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.409 HD12 HG12 ' A' ' 43' ' ' ILE . 4.6 mm -53.77 -61.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.14 -47.15 81.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 21.8 tpt180 -56.47 -51.73 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 58' ' ' THR . 2.2 t80 -54.53 -29.23 50.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 97.5 m -73.83 -14.7 61.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -86.03 -33.39 21.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.624 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.58 -32.16 25.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.3 p -98.68 -66.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.13 1.16 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.6 t -73.95 142.56 79.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.98 141.57 26.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -49.21 -56.1 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.551 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.6 tt0 -46.63 -33.01 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -79.05 -48.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.934 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -55.49 -20.95 14.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -83.43 -72.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 63' ' ' GLN . 24.5 m -49.11 -45.22 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.2 t90 -38.84 -63.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.786 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.7 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.12 116.24 13.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.53 169.32 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.87 -40.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.49 -68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -50.24 -46.38 54.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -63.81 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.45 -41.72 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -53.93 -50.52 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 10.0 mtt -67.37 -42.39 83.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -45.43 83.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.75 74.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD23 HD21 ' A' ' 65' ' ' LEU . 33.6 tp -72.46 -51.47 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.805 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.59 -43.96 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.62 -7.78 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -50.48 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.88 HD12 ' O ' ' A' ' 42' ' ' ARG . 35.7 pt -83.94 -32.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.22 32.16 3.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.805 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 58.49 24.72 12.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.88 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 ttm180 -130.32 151.94 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 66' ' ' LYS . 5.6 mt -118.19 140.46 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.61 170.22 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -10.12 50.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -87.43 -54.3 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.8 m-20 -67.5 -13.27 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -46.4 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -56.07 -45.78 79.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.4 t -72.21 -39.38 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.06 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.06 -29.08 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.3 tpt180 -76.25 -53.59 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.8 OUTLIER -57.08 -23.3 45.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 66.9 m -76.98 -9.63 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -96.28 -20.03 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.6 pt-20 -95.98 -28.97 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.725 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.6 p -105.65 -28.05 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.31 2.9 88.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 61' ' ' PRO . 88.0 t -74.16 142.03 78.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 143.18 28.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttp-105 -50.55 -57.74 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 tt0 -45.29 -34.04 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -76.84 -51.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.962 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -54.72 -22.3 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttmt -81.75 -71.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 63' ' ' GLN . 27.5 m -49.22 -47.49 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 84.2 t90 -37.62 -63.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.693 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.495 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 14.9 m-85 -77.43 116.12 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.6 173.69 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -36.26 -49.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.77 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -46.74 -47.2 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -58.18 -63.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.37 -39.03 63.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -56.06 -57.56 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.55 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 12.1 mtt -60.65 -42.9 97.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -47.86 70.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.89 82.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HD21 ' A' ' 65' ' ' LEU . 31.4 tp -68.51 -50.24 53.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.894 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.38 -46.86 79.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.64 -7.91 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.34 -51.08 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 42' ' ' ARG . 10.3 pt -84.57 -32.32 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.77 28.17 4.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 28.1 m95 65.52 13.42 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 ttm180 -119.1 150.42 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 66' ' ' LYS . 9.5 mt -121.67 146.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.3 177.96 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -10.34 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.56 -53.55 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.7 m-20 -70.45 -16.2 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.21 -47.61 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.2 t -73.73 -41.49 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -57.3 -71.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -44.71 24.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.97 -48.21 82.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.8 t80 -61.77 -22.79 65.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.21 -11.24 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.401 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -97.11 -15.87 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.829 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.1 pt-20 -99.3 -25.71 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.829 HG23 ' HG3' ' A' ' 57' ' ' GLU . 66.2 p -111.04 -39.01 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.7 1.24 68.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.0 t -74.17 142.1 78.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 144.36 30.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -51.66 -57.17 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 29.5 tt0 -45.93 -32.45 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -78.74 -52.51 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.21 -23.24 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HA ' HD11 ' A' ' 43' ' ' ILE . 9.7 ttpp -80.02 -72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 63' ' ' GLN . 31.0 m -49.73 -46.15 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.55 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.8 t90 -37.94 -62.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.894 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 9.0 m-85 -72.49 116.54 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -91.11 171.68 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -38.62 -38.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.8 tt0 -66.35 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -50.81 -45.8 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -62.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.05 -43.74 82.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.567 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 13.2 mtm -70.67 -42.17 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -43.03 84.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.7 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 65' ' ' LEU . 39.9 tp -72.02 -50.34 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.803 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -54.85 -45.97 74.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.3 -8.0 50.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -98.04 -49.83 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' ARG . 26.5 pt -81.12 -32.65 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.01 26.79 5.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 25.7 m95 64.04 21.93 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.6 ttt180 -126.82 151.51 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.722 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.0 mt -119.46 144.69 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -158.04 168.65 26.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -14.46 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -82.87 -48.59 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.8 m-20 -75.67 -14.95 60.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.06 -45.36 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.83 -46.12 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.6 t -73.43 -36.84 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.8 mm -63.87 -57.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.96 -28.32 68.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -78.64 -42.16 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.677 ' CZ ' HG21 ' A' ' 58' ' ' THR . 60.6 t80 -56.77 -34.26 67.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -70.25 -11.35 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -93.93 -19.87 20.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.848 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -99.16 -30.59 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.848 HG23 ' HG3' ' A' ' 57' ' ' GLU . 49.6 p -106.41 -58.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.71 0.12 23.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.5 t -73.99 142.89 80.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.757 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 140.91 25.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -48.78 -56.81 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 7.8 tt0 -46.13 -33.4 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.39 -49.92 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.95 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.23 -21.67 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.722 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -81.65 -70.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' TRP . 31.4 m -50.77 -46.28 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.5 t90 -38.27 -62.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.803 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.7 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CG ' ' HE1' ' A' ' 32' ' ' MET . 5.0 m-85 -72.55 116.36 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -89.99 174.41 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.07 -47.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.78 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.4 mm-40 -46.82 -47.32 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -59.11 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -36.63 69.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.755 ' HG2' HD23 ' A' ' 65' ' ' LEU . 31.8 mtm -57.64 -48.2 80.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -43.48 69.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 65' ' ' LEU . 17.8 tp -70.55 -50.7 34.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.8 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.07 -47.51 74.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.27 -7.96 41.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.6 pt -79.29 -32.63 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 109.21 23.93 6.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.634 ' HA ' HD22 ' A' ' 69' ' ' LEU . 37.3 m95 67.03 22.21 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.8 ttp-105 -128.2 151.14 49.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 69' ' ' LEU . 2.1 mp -127.11 133.31 68.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -142.12 173.4 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -12.15 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.96 -51.09 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 23.0 m-20 -68.57 -13.57 62.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -44.22 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -44.99 94.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -70.96 -37.95 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 43' ' ' ILE . 3.0 mm -63.02 -66.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -52.39 -29.14 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -76.73 -54.31 6.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.7 t80 -54.62 -22.42 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 20.7 t -79.82 -19.99 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.81 -21.98 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.2 pt-20 -96.84 -32.57 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 77.2 p -99.57 -59.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.83 -1.15 25.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 61' ' ' PRO . 76.4 t -74.05 142.47 79.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.04 143.27 28.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -51.44 -56.89 10.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -45.25 -35.95 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.591 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.2 t -72.79 -58.88 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.2 tm? -53.69 -20.76 5.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.92 -72.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.72 -36.34 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 89.6 t90 -41.56 -56.73 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 4.1 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.75 116.19 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.57 167.36 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.59 -40.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.17 -71.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.7 mm-40 -48.92 -47.89 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.73 -39.55 65.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -55.52 -41.5 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.698 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -74.48 -46.1 41.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -42.8 73.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.08 80.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 65' ' ' LEU . 28.4 tp -70.72 -50.68 33.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.837 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.3 -45.75 76.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.78 -7.81 52.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -97.44 -50.3 4.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.5 pt -83.05 -32.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.03 23.55 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.759 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 67.79 17.13 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 ttt180 -123.43 150.95 43.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.7 mt -118.55 138.92 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.99 168.55 22.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -14.53 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.8 -51.44 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 19.9 m-20 -72.64 -15.47 61.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.98 -50.35 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -53.17 -45.37 68.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -71.89 -39.26 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.49 -69.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -49.51 -32.98 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.1 tpp85 -72.2 -54.35 9.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.9 OUTLIER -54.32 -28.54 43.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 98.2 m -72.55 -11.69 60.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.6 -31.2 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.659 ' HG3' HG23 ' A' ' 58' ' ' THR . 13.2 pt-20 -84.68 -32.17 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.737 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 69.8 p -98.79 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.74 0.03 34.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 61' ' ' PRO . 93.6 t -74.1 142.23 78.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.9 30.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -58.84 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 67' ' ' VAL . 4.1 tt0 -44.57 -32.41 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.581 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.96 -55.23 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.876 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.24 -25.97 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HA ' HD11 ' A' ' 43' ' ' ILE . 8.0 ttmt -77.08 -71.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 63' ' ' GLN . 20.5 m -50.11 -44.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.698 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 86.5 t90 -39.28 -62.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -75.12 116.22 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.42 168.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.22 -40.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.8 -70.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.0 mm-40 -48.85 -46.69 42.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -56.19 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.88 -40.01 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -55.9 -50.55 70.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 65' ' ' LEU . 11.5 mtm -67.6 -41.91 83.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.02 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.51 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.74 -52.32 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.865 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.33 -43.9 68.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -73.22 -7.95 53.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.31 -50.14 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.916 HD12 ' O ' ' A' ' 42' ' ' ARG . 43.7 pt -83.19 -32.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.14 29.69 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.865 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.4 m95 57.83 39.98 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.916 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -143.69 151.17 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.9 mt -116.46 142.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -156.08 169.07 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -18.79 65.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.63 -51.91 7.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 5.9 m-20 -70.46 -17.92 62.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -40.24 -54.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 1.6 mt-10 -45.78 -42.83 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.2 t -78.4 -39.47 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.27 -71.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ASP . 4.3 mt-30 -48.48 -32.95 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 18.5 tpp85 -72.09 -53.82 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -54.76 -27.02 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.3 m -75.12 -10.99 59.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -90.19 -30.51 17.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.9 pt-20 -86.32 -34.87 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.695 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 68.9 p -94.27 -52.24 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.33 1.31 47.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 61' ' ' PRO . 89.6 t -73.94 142.51 79.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 143.99 29.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -51.72 -57.25 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.7 tt0 -45.9 -31.81 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.38 -51.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.878 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -57.11 -23.74 49.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.0 ttmt -78.76 -67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 63' ' ' GLN . 32.5 m -53.22 -47.46 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 67' ' ' VAL . 86.7 t90 -37.29 -61.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.0 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 5.3 m-85 -75.03 115.8 15.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.75 164.97 20.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.86 -35.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.7 tt0 -69.73 -70.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -54.64 -44.76 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -53.84 -59.29 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.88 -48.92 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 1.4 mmp_? -44.31 -48.17 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 10.3 mtt -70.36 -44.67 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -45.99 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -72.26 -52.33 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.12 -47.55 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.76 -8.03 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -99.96 -49.37 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 42' ' ' ARG . 39.6 pt -78.45 -33.11 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 105.62 32.07 4.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.666 ' HA ' HD22 ' A' ' 69' ' ' LEU . 24.1 m95 56.8 36.85 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.853 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.1 ttt180 -139.43 153.19 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 22.6 mt -125.53 115.12 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -124.18 169.77 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -11.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.32 -52.5 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' VAL . 32.5 m-20 -68.74 -16.33 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -53.27 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -43.43 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -74.05 -42.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.402 HD12 HG12 ' A' ' 43' ' ' ILE . 3.4 mm -56.84 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -44.43 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -60.51 -52.51 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.0 OUTLIER -54.61 -26.29 31.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.95 -15.17 60.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -84.02 -33.46 24.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 11.8 pt-20 -84.29 -33.29 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 67.5 p -96.04 -64.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.91 -0.1 19.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.6 t -73.92 142.32 79.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 143.71 29.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.798 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -52.39 -55.86 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.633 ' O ' HG23 ' A' ' 67' ' ' VAL . 15.0 tt0 -46.78 -32.03 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -77.72 -53.83 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.947 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -54.21 -20.09 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.9 ttpm? -82.39 -72.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 63' ' ' GLN . 13.3 t -51.25 -35.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 83.2 t90 -44.81 -56.44 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 41' ' ' TRP . 9.9 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.554 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 16.0 m-85 -73.91 116.51 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -87.79 170.67 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.65 -40.76 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -62.38 -71.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.495 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.2 mm-40 -49.45 -46.28 47.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.26 -61.16 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.33 -49.06 77.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 0.6 OUTLIER -47.64 -47.47 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.554 ' HE1' ' CD1' ' A' ' 24' ' ' PHE . 13.3 mtm -70.62 -41.58 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -44.84 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.04 82.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.4 tp -70.99 -49.43 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.61 -43.63 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -73.53 -8.15 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -46.38 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.0 pt -85.27 -32.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 112.05 23.59 5.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.744 ' HA ' HD22 ' A' ' 69' ' ' LEU . 40.4 m95 69.13 10.57 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 39' ' ' ILE . 30.6 ptt180 -115.51 170.95 8.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 39.0 mt -131.61 138.95 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -153.43 172.02 17.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -17.59 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.27 -44.06 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' ASP . 58.5 m-20 -73.62 -21.07 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -39.08 -62.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.97 -42.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -77.22 -41.15 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.4 mm -55.97 -50.78 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -68.37 -48.16 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -57.66 -39.93 78.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 58' ' ' THR . 42.5 t80 -62.17 -45.0 95.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.99 -15.67 57.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -84.87 -34.25 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.3 pt-20 -86.46 -34.99 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.683 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.7 p -97.07 -71.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.48 1.01 7.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.0 t -74.14 142.89 79.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.02 140.13 25.02 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.18 -53.23 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.1 tt0 -48.92 -31.97 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.63 -48.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.893 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -55.57 -20.72 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.1 ttpp -80.94 -70.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 68' ' ' TRP . 23.5 m -51.97 -44.67 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' C ' ' O ' ' A' ' 67' ' ' VAL . 81.8 t90 -39.27 -61.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.3 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 9.8 m-85 -72.22 116.43 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.92 170.22 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.91 -39.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.46 -70.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -49.87 -45.73 50.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -61.7 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.59 -46.53 83.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -49.05 -52.78 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 18.7 mtm -66.04 -45.62 80.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -47.72 79.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.59 70.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.8 tp -76.54 -54.13 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.905 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.26 -17.45 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -92.1 -8.03 46.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.51 -17.12 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 ' HG3' ' A' ' 38' ' ' ARG . 21.6 pt -111.06 -32.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.35 26.24 6.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 17.8 m95 61.33 39.48 15.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -140.14 157.08 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.8 mt -121.68 140.94 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -156.68 178.94 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -3.93 32.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -95.07 -45.72 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.636 ' OD1' HG22 ' A' ' 39' ' ' ILE . 22.5 m-20 -78.48 -16.42 57.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.2 t0 -39.49 -61.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -42.86 -41.22 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.3 t -76.64 -43.82 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 43' ' ' ILE . 3.3 mm -56.08 -63.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.73 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 19.7 tpt180 -58.27 -48.3 80.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 58' ' ' THR . 16.9 t80 -54.8 -30.25 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 50.5 t -73.52 -10.43 59.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.23 -20.13 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.749 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.8 pt-20 -99.24 -36.47 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.849 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 74.4 p -98.14 -52.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.79 1.61 39.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 99.5 t -73.92 142.24 79.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 141.7 27.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -49.64 -55.91 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.0 tt0 -47.12 -31.19 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -81.02 -48.52 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.949 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -58.78 -17.08 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.708 ' HA ' HD11 ' A' ' 43' ' ' ILE . 5.6 ttpp -84.18 -69.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.1 m -54.95 -47.44 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 81.8 t90 -36.54 -61.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.905 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.489 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 20.8 m-85 -72.52 116.64 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.11 169.74 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.34 -40.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.2 tt0 -63.04 -69.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.515 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.0 mm-40 -51.15 -45.74 61.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.51 -44.93 73.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 7.3 mmp_? -49.54 -54.0 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 16.0 mtt -66.19 -41.68 89.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -44.8 81.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -33.76 76.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.44 -51.81 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.774 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -53.37 -44.68 68.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.97 -7.7 50.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -99.33 -49.42 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.014 HD12 ' O ' ' A' ' 42' ' ' ARG . 47.3 pt -81.82 -32.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 106.04 28.02 5.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.584 1.178 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.734 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 13.2 m95 61.44 40.09 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 1.014 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.2 ttt180 -142.03 150.83 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.4 mt -120.0 140.34 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -153.55 176.23 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -6.3 42.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.59 -47.81 7.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' VAL . 49.9 m-20 -72.31 -12.49 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.34 -36.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 49' ' ' GLU . 3.7 t -83.92 -37.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.8 mm -63.48 -58.4 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.55 -31.72 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -73.95 -49.78 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 58' ' ' THR . 12.6 t80 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 39.9 t -68.18 -16.67 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.64 -34.54 34.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.9 pt-20 -86.9 -36.73 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.601 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.0 p -93.19 -71.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.88 1.63 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 61' ' ' PRO . 74.2 t -73.93 142.91 80.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 140.57 25.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -49.2 -54.11 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.3 tm0? -48.19 -32.39 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.46 -48.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.937 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.0 tm? -56.85 -23.07 41.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.4 ttmm -78.62 -68.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' GLN . 30.2 m -53.36 -44.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 85.1 t90 -39.46 -63.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.774 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -72.32 116.18 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -90.8 173.09 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.98 -47.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.27 -71.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 9.3 mm-40 -50.02 -45.92 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.7 -43.99 76.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.58 -54.29 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.561 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 22.2 mtm -65.12 -37.55 87.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -45.88 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -26.73 67.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.4 tp -82.23 -52.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -58.07 -16.34 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -88.76 -7.92 55.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.86 -17.77 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 42' ' ' ARG . 25.4 pt -107.17 -32.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.64 29.3 5.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 69' ' ' LEU . 12.7 m95 60.59 38.25 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.966 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.5 ttm-85 -142.05 150.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 69' ' ' LEU . 3.3 mp -116.34 157.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 1.5 mt-30 -168.82 -175.34 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -16.92 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.45 -42.37 18.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -82.17 -14.69 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -44.56 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -57.72 -45.81 85.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.0 t -72.58 -38.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.02 -64.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.04 -26.14 35.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 11.6 tpt180 -79.96 -46.04 17.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 58' ' ' THR . 21.7 t80 -53.05 -32.11 45.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.75 -16.82 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -86.28 -22.42 26.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.866 ' HG3' HG23 ' A' ' 58' ' ' THR . 5.4 pt-20 -97.37 -24.98 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.866 HG23 ' HG3' ' A' ' 57' ' ' GLU . 42.0 p -112.37 -66.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.17 2.78 10.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 61' ' ' PRO . 68.8 t -73.98 143.36 80.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 136.3 20.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.27 -46.27 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.25 -28.6 54.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.579 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -82.67 -45.1 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -55.53 -18.89 8.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -82.64 -72.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' TRP . 29.2 m -53.35 -45.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.507 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 81.7 t90 -37.99 -61.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.715 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 5.2 m-85 -72.16 116.52 12.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -92.49 174.29 7.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.02 -71.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.489 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.9 mm-40 -48.58 -46.66 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -62.02 2.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.62 -41.51 73.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -56.06 -58.15 9.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.8 mtm -61.43 -46.6 89.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -43.44 86.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.44 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 3.5 tp -82.59 -52.85 6.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -58.92 -15.54 13.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -92.11 -8.28 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.66 -17.09 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.98 HD12 ' O ' ' A' ' 42' ' ' ARG . 49.9 pt -110.21 -31.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.38 26.94 6.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.946 ' HA ' HD22 ' A' ' 69' ' ' LEU . 8.4 m95 62.09 40.63 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.98 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.1 ttp180 -142.65 152.73 42.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CD1' ' A' ' 69' ' ' LEU . 4.3 mp -120.62 140.14 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -145.39 -175.53 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.336 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -82.11 1.76 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' VAL . 39.6 m-20 -83.44 -11.84 57.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -43.59 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.1 t -71.06 -35.51 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.9 mm -65.78 -57.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.6 -27.88 69.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 56' ' ' GLN . 10.3 tpp180 -79.28 -44.53 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 58' ' ' THR . 41.3 t80 -54.68 -38.03 66.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 42.1 t -65.05 -14.34 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -89.02 -25.06 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.1 pt-20 -95.22 -26.51 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 57' ' ' GLU . 40.1 p -110.34 -66.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.27 1.05 10.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 61' ' ' PRO . 71.7 t -73.98 143.05 80.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 139.59 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 51' ' ' ILE . 1.3 ttt-85 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.532 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.4 tt0 -55.82 -26.08 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -83.11 -49.72 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.864 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.7 tm? -55.11 -21.21 12.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -80.71 -72.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 63' ' ' GLN . 26.1 m -52.13 -45.58 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 74.3 t90 -37.13 -54.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' HA ' ' A' ' 41' ' ' TRP . 2.7 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.596 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 7.3 m-85 -72.25 116.72 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.76 171.19 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -39.24 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.36 -70.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.561 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.1 mm-40 -49.71 -46.81 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -55.85 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.92 -39.98 96.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.16 -48.56 81.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 11.7 mtt -68.14 -46.02 71.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.84 92.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.07 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.3 tp -82.58 -52.49 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.94 -16.73 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.57 -7.61 43.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.812 ' HE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -106.81 -14.92 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' O ' ' A' ' 42' ' ' ARG . 28.9 pt -110.42 -32.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.27 21.29 7.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.933 ' HA ' HD22 ' A' ' 69' ' ' LEU . 39.9 m95 67.62 38.57 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.938 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.4 ptp180 -143.71 176.32 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 19.9 mt -138.81 143.36 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -150.45 179.97 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.1 2.52 23.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -102.48 -32.13 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.716 ' OD2' HG22 ' A' ' 39' ' ' ILE . 4.1 m-20 -88.79 -12.04 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ILE . 14.9 m-20 -40.57 -65.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -40.78 -35.28 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.812 HG11 ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -81.93 -43.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' A' ' 62' ' ' ARG . 4.3 mm -59.77 -42.46 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -78.57 -36.34 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' A' ' 58' ' ' THR . 57.1 t80 -63.43 -47.12 83.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 44.7 t -63.0 -14.82 52.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -80.14 -32.78 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.0 pt-20 -92.33 -37.91 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 64.6 p -90.98 -69.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.69 -0.66 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 61' ' ' PRO . 97.4 t -73.96 141.22 78.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 147.09 33.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -54.62 -58.76 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.2 -33.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.603 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -74.54 -57.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.982 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.4 tm? -55.31 -20.74 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.6 tttp -78.62 -72.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' TRP . 51.0 t -53.64 -39.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 75.7 t90 -41.53 -53.56 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.933 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 7.7 m-85 -73.01 116.31 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.11 171.34 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.92 -48.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.95 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.3 mm-40 -49.5 -46.28 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -61.95 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.21 -42.97 78.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -51.95 -53.02 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HE2' HG21 ' A' ' 60' ' ' VAL . 16.5 mtt -67.55 -44.22 78.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -46.68 87.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.69 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 3.4 tp -78.88 -54.09 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.23 -17.94 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.18 -7.69 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.597 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.15 -17.35 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 42' ' ' ARG . 37.1 pt -108.98 -32.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.5 m95 59.96 41.95 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -144.17 155.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 66' ' ' LYS . 4.5 mt -117.91 138.99 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -148.82 176.45 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -66.86 -34.03 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -68.78 -48.56 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.5 m-20 -75.43 -22.38 57.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.6 t0 -39.9 -39.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -50.68 69.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.7 t -68.35 -37.5 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.2 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.29 -32.05 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 19.6 tpp85 -72.5 -59.64 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.922 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -46.8 -26.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 23.6 m -61.52 -16.9 51.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 108.263 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 4.2 pt20 -98.1 -33.56 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HG3' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -72.02 -23.7 61.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.922 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 28.9 p -116.44 -37.83 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.28 -2.06 60.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 61' ' ' PRO . 72.7 t -75.62 142.81 74.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 147.12 33.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.065 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.503 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.7 tt0 -40.89 -35.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -75.51 -50.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.899 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -52.02 -28.6 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HA ' HD11 ' A' ' 43' ' ' ILE . 15.7 ttpt -74.81 -72.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 m -48.52 -45.44 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 82.7 t90 -38.53 -62.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.686 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.655 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 47.3 m-85 -72.41 116.08 12.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.52 168.05 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.74 -39.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -65.3 -71.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 32' ' ' MET . 11.6 mm-40 -46.9 -47.77 21.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.3 mt-10 -57.92 -35.39 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -62.61 -49.66 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.96 ' SD ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -70.34 -45.71 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -45.92 91.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -65.59 -28.25 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.3 tp -79.05 -53.76 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -57.87 -16.24 11.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -90.0 -7.59 53.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.38 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.911 HD12 ' O ' ' A' ' 42' ' ' ARG . 38.7 pt -107.35 -30.44 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.37 27.2 6.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.823 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.4 m95 62.33 33.24 16.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.911 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 ttp-105 -136.62 151.0 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 69' ' ' LEU . 3.4 mp -123.39 132.87 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.52 -177.64 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.05 -13.88 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -83.26 -55.57 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' VAL . 53.4 m-20 -70.47 -12.76 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.63 -40.43 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.81 84.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -72.07 -39.18 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.74 -67.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.42 -37.0 35.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.59 -52.6 24.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.727 ' CE2' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.14 -29.11 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 94.7 m -71.52 -11.43 60.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.26 -34.28 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.5 pt-20 -82.05 -36.52 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' CE2' ' A' ' 54' ' ' PHE . 77.9 p -92.55 -47.6 7.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -3.4 53.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.595 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.5 t -74.03 141.55 78.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.599 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.0 148.28 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -58.58 -55.34 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -47.6 -27.74 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.599 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -78.96 -60.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.96 HD23 ' SD ' ' A' ' 32' ' ' MET . 2.8 tm? -54.44 -24.97 22.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.5 tttp -66.37 -70.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.88 -33.53 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CG ' ' HE3' ' A' ' 32' ' ' MET . 76.4 t90 -41.87 -59.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 41' ' ' TRP . 4.0 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.4 ' CE2' ' HD1' ' A' ' 68' ' ' TRP . 4.4 m-85 -72.84 115.91 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -83.44 164.84 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' OE2' ' A' ' 30' ' ' GLU . . . -35.17 -37.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 6.1 tt0 -67.14 -70.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 8.6 mm-40 -53.78 -45.46 70.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.79 ' OE2' ' HB1' ' A' ' 26' ' ' ALA . 34.1 mt-10 -56.33 -48.67 76.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.7 mmp_? -43.08 -50.75 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 11.9 mtt -66.58 -45.55 78.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -48.23 75.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.76 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 6.7 tp -74.36 -53.77 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.818 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.48 -17.25 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -92.68 -8.12 44.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.07 -18.17 13.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.96 HD12 ' O ' ' A' ' 42' ' ' ARG . 44.9 pt -111.33 -32.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.96 26.51 6.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 12.1 m95 62.14 41.3 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.96 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.6 ttt180 -142.64 152.45 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.8 mt -117.26 128.05 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -136.11 -177.86 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 1.38 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -101.4 -30.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 34.6 m-20 -90.81 -12.31 36.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.87 -47.9 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.32 -41.87 72.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -75.42 -42.28 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -56.3 -64.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.47 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -56.85 -49.53 75.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CZ ' HG21 ' A' ' 58' ' ' THR . 4.2 t80 -54.19 -33.12 57.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 35.5 t -72.92 -17.22 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -82.12 -35.14 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.64 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.46 -37.3 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 57' ' ' GLU . 59.1 p -93.95 -71.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' OG1' ' A' ' 58' ' ' THR . . . 125.04 2.08 7.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.4 t -73.85 142.84 80.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.0 140.44 25.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -48.36 -56.1 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.556 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.3 tt0 -46.13 -35.03 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.573 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -76.31 -48.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.936 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.8 tm? -57.06 -21.89 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 10.7 ttpp -81.45 -69.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' GLN . 29.3 m -51.47 -45.83 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.3 t90 -39.14 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.818 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.9 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.585 ' N ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -73.75 116.62 14.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -93.16 171.78 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.74 -44.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -60.66 -71.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.546 ' OE1' HG23 ' A' ' 60' ' ' VAL . 11.5 mm-40 -47.52 -47.98 27.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -64.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.89 -40.24 56.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.509 ' CD ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -56.05 -45.97 79.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 60' ' ' VAL . 2.7 mtt -70.47 -46.63 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -44.47 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 65' ' ' LEU . 31.4 tp -71.68 -50.64 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.861 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.78 -42.89 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.54 -8.06 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -98.2 -49.66 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 42' ' ' ARG . 24.9 pt -84.88 -32.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 110.04 21.8 6.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.861 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 22.0 m95 69.83 17.55 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -123.44 151.06 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.2 mt -118.49 145.63 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -157.33 172.07 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -63.32 -15.36 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -87.69 -36.44 17.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.6 m-20 -81.6 -20.18 40.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -38.98 -61.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -43.24 -42.66 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -75.34 -38.19 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -63.2 -57.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.44 -31.56 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 10.8 tpt180 -73.87 -48.73 28.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.764 ' CZ ' HG21 ' A' ' 58' ' ' THR . 9.0 t80 -51.69 -38.32 54.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 49.5 t -62.76 -16.87 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.822 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.6 pt-20 -88.08 -24.72 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' HG3' ' A' ' 57' ' ' GLU . 36.0 p -111.66 -71.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.64 -1.2 6.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.723 HG13 ' HD2' ' A' ' 61' ' ' PRO . 67.5 t -74.05 143.42 80.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.723 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 138.38 22.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -47.95 49.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.9 tt0 -54.05 -28.07 36.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.569 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -83.31 -49.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 tm? -53.38 -27.57 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HA ' HD11 ' A' ' 43' ' ' ILE . 21.7 ttmt -72.17 -72.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' TRP . 21.0 m -51.09 -43.81 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CZ2' ' HB2' ' A' ' 32' ' ' MET . 80.9 t90 -38.5 -61.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 41' ' ' TRP . 5.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' CE2' ' CD1' ' A' ' 68' ' ' TRP . 6.8 m-85 -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.98 165.12 19.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.01 -37.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.4 tt0 -68.93 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -44.5 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -54.51 -58.36 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.24 -43.07 99.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -48.02 -54.74 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 76.8 mtm -64.51 -45.52 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -42.87 66.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.32 -36.18 82.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 27.8 tp -69.48 -51.22 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.796 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.16 -44.37 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.03 -7.65 50.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.53 -50.01 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.957 HD12 ' O ' ' A' ' 42' ' ' ARG . 42.1 pt -82.34 -32.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 107.0 33.07 3.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.881 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.2 m95 54.03 43.51 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.957 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -143.83 150.22 38.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.24 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 66' ' ' LYS . 2.4 mp -125.31 133.45 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -149.66 173.4 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -16.26 58.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -81.49 -56.42 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.3 m-20 -69.66 -13.58 62.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.01 -46.46 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 7.4 tt0 -57.13 -47.11 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -69.74 -38.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.21 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.66 -24.72 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 37.7 tpt85 -81.33 -35.46 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CZ ' HG21 ' A' ' 58' ' ' THR . 73.2 t80 -65.07 -29.06 69.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 47.8 t -75.74 -8.41 56.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -91.56 -21.81 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.4 pt-20 -99.44 -43.2 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 57' ' ' GLU . 67.8 p -91.63 -56.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.69 -0.89 27.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 61' ' ' PRO . 73.8 t -73.75 140.64 78.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 141.97 27.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -53.3 -48.49 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.58 -31.16 34.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.598 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.9 t -76.05 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.05 -33.73 53.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.6 tttp -58.74 -72.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.26 -35.45 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.5 t90 -42.1 -55.66 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -73.42 116.43 13.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.7 169.06 12.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.69 -41.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.1 tt0 -61.46 -68.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.513 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.9 mm-40 -51.92 -45.33 64.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.63 -44.61 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 6.8 mmp_? -50.4 -52.26 39.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.614 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 29.3 mtm -66.85 -41.21 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -45.67 93.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -28.99 69.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 7.0 tp -78.83 -50.81 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -61.54 -12.45 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.75 -10.93 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.75 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.28 -21.7 13.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' O ' ' A' ' 42' ' ' ARG . 34.0 pt -105.45 -30.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.69 27.99 6.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.654 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 14.2 m95 60.01 40.34 18.87 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 1.036 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -141.25 149.46 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 13.7 mt -112.96 137.85 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -147.0 179.56 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -80.06 1.0 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -100.33 -38.9 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 38.6 m-20 -82.69 -10.17 59.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.33 -44.21 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -40.28 85.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.8 t -76.53 -42.4 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.7 mm -56.39 -54.73 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.93 69.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -56.27 -41.94 76.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.711 ' CZ ' HG21 ' A' ' 58' ' ' THR . 28.4 t80 -57.91 -41.89 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.47 -15.04 56.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -85.96 -34.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.777 ' HG3' HG23 ' A' ' 58' ' ' THR . 16.1 pt-20 -85.21 -33.19 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.777 HG23 ' HG3' ' A' ' 57' ' ' GLU . 58.0 p -100.36 -72.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.83 0.01 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.8 t -73.83 143.09 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 140.2 25.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HD2' HG21 ' A' ' 51' ' ' ILE . 12.4 ttp85 -49.31 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.85 -31.87 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.57 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.66 -47.62 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.953 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -56.26 -21.94 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttpp -78.46 -71.3 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' TRP . 25.4 m -52.14 -44.94 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 84.8 t90 -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 108.056 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.744 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.84 113.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 0.732 . . . . 0.0 109.986 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.9 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -67.93 1.87 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -92.92 144.87 24.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -72.52 158.35 35.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.76 114.2 5.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -49.34 -58.59 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -81.13 121.9 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.15 -61.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -121.15 147.61 45.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.09 -62.22 1.57 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.44 112.76 0.34 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.88 -157.06 9.48 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.96 95.46 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 tp -116.47 108.82 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 55.56 169.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' HIS . 2.8 tptt -108.89 164.43 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.22 96.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.435 ' O ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -68.73 -176.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.589 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -63.17 98.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.533 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.7 p -98.44 157.8 15.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 70.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 9.9 m-85 -72.21 116.5 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.69 170.14 11.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.38 -38.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 2.3 tt0 -64.56 -68.4 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.7 mm-40 -52.37 -45.22 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.86 -63.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.52 -45.16 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.1 mmp_? -49.35 -52.4 28.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.2 mtm -66.22 -42.94 88.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.62 -46.81 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.43 80.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD23 HD21 ' A' ' 65' ' ' LEU . 18.5 tp -71.12 -51.33 25.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 41' ' ' TRP . . . -53.57 -42.89 68.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -100.58 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.344 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 42' ' ' ARG . 23.9 pt -83.84 -33.13 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' C ' ' N ' ' A' ' 42' ' ' ARG . . . 108.0 43.94 1.25 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.786 ' HA ' HD22 ' A' ' 69' ' ' LEU . 35.7 m95 45.25 27.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.765 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.7 ptm85 -130.67 175.77 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 HD12 ' A' ' 51' ' ' ILE . 21.3 mt -138.72 137.3 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -140.84 170.09 16.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -4.58 37.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -95.89 -43.54 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 50' ' ' VAL . 27.0 m-20 -74.28 -10.49 59.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -41.06 -61.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 12.3 pt-20 -42.57 -37.27 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.7 t -80.66 -47.07 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 HD12 HG12 ' A' ' 43' ' ' ILE . 4.6 mm -53.77 -61.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -57.14 -47.15 81.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 21.8 tpt180 -56.47 -51.73 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 58' ' ' THR . 2.2 t80 -54.53 -29.23 50.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 97.5 m -73.83 -14.7 61.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -86.03 -33.39 21.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.624 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.58 -32.16 25.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.624 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.3 p -98.68 -66.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.13 1.16 14.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.6 t -73.95 142.56 79.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -74.98 141.57 26.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -49.21 -56.1 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.551 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.6 tt0 -46.63 -33.01 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -79.05 -48.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.934 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -55.49 -20.95 14.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -83.43 -72.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 63' ' ' GLN . 24.5 m -49.11 -45.22 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.2 t90 -38.84 -63.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.786 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.7 mt -41.95 -46.27 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' VAL . 12.6 t60 -69.1 -41.45 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 68' ' ' TRP . 88.3 m-20 -66.29 -18.85 65.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.7 m-80 -98.78 -73.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -54.25 174.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 58.51 72.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.27 120.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.75 -157.84 29.06 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 80.67 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.28 130.37 42.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.7 p -125.5 -55.91 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 p -158.21 168.78 26.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -67.7 149.64 49.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.12 -128.97 1.0 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.37 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -95.09 135.84 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.0 174.42 31.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 160.02 34.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -158.19 95.05 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.28 117.63 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.48 131.61 26.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 62.49 108.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.83 116.37 8.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.75 162.23 50.29 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -144.69 108.48 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mp -109.07 112.87 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.47 138.43 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' HIS . 12.9 mmtt -137.75 166.24 24.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -43.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.38 77.58 9.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.582 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -157.94 73.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.22 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.585 ' CB ' ' CZ ' ' A' ' 24' ' ' PHE . 21.8 p -111.74 157.36 20.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.11 70.78 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' CB ' ' A' ' 22' ' ' THR . 13.1 m-85 -73.12 116.24 13.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.53 169.32 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.368 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.87 -40.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -62.49 -68.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -50.24 -46.38 54.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -63.81 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.45 -41.72 69.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -53.93 -50.52 66.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.549 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 10.0 mtt -67.37 -42.39 83.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -45.43 83.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.75 74.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD23 HD21 ' A' ' 65' ' ' LEU . 33.6 tp -72.46 -51.47 20.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.805 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.59 -43.96 72.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -73.62 -7.78 53.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -50.48 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.88 HD12 ' O ' ' A' ' 42' ' ' ARG . 35.7 pt -83.94 -32.73 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.22 32.16 3.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.805 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 58.49 24.72 12.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.88 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.9 ttm180 -130.32 151.94 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.584 HD11 ' HA ' ' A' ' 66' ' ' LYS . 5.6 mt -118.19 140.46 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.61 170.22 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -10.12 50.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -87.43 -54.3 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.8 m-20 -67.5 -13.27 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -46.4 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -56.07 -45.78 79.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.4 t -72.21 -39.38 64.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.06 -71.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.06 -29.08 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.3 tpt180 -76.25 -53.59 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.725 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.8 OUTLIER -57.08 -23.3 45.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 66.9 m -76.98 -9.63 58.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.7 OUTLIER -96.28 -20.03 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.6 pt-20 -95.98 -28.97 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.725 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.6 p -105.65 -28.05 10.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.31 2.9 88.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 61' ' ' PRO . 88.0 t -74.16 142.03 78.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.62 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 143.18 28.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.5 ttp-105 -50.55 -57.74 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' O ' HG22 ' A' ' 67' ' ' VAL . 11.8 tt0 -45.29 -34.04 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -76.84 -51.6 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.962 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.2 tm? -54.72 -22.3 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.584 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttmt -81.75 -71.09 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 63' ' ' GLN . 27.5 m -49.22 -47.49 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.549 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 84.2 t90 -37.62 -63.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.693 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt -42.56 -49.98 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.7 t60 -64.04 -42.98 96.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' VAL . 89.9 m-20 -65.56 -14.65 61.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -99.82 -70.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 177.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 39.91 88.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.7 m -56.13 141.25 41.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.43 150.53 21.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 154.53 42.74 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.41 116.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.51 76.6 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -172.98 92.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.036 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.76 163.49 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.976 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.18 -96.1 0.12 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.02 122.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -166.11 167.37 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.38 -77.25 1.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.55 -58.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 0.734 . . . . 0.0 110.031 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t 58.99 107.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -61.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -179.46 -58.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.552 1.158 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.54 160.46 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.81 94.15 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.33 139.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.51 60.89 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.59 101.85 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -124.07 160.44 27.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? 67.23 158.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 71.15 70.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.2 m170 45.21 68.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -173.46 50.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 36.9 p -115.58 157.25 24.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.49 66.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 14.9 m-85 -77.43 116.12 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.6 173.69 8.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -36.26 -49.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.77 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -46.74 -47.2 20.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -58.18 -63.01 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.37 -39.03 63.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -56.06 -57.56 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.55 ' SD ' ' CD2' ' A' ' 68' ' ' TRP . 12.1 mtt -60.65 -42.9 97.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.83 -47.86 70.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.47 -35.89 82.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.84 HD23 HD21 ' A' ' 65' ' ' LEU . 31.4 tp -68.51 -50.24 53.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.894 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.38 -46.86 79.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.64 -7.91 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -94.34 -51.08 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 42' ' ' ARG . 10.3 pt -84.57 -32.32 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.77 28.17 4.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 28.1 m95 65.52 13.42 8.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.6 ttm180 -119.1 150.42 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 66' ' ' LYS . 9.5 mt -121.67 146.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.3 177.96 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -10.34 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -87.56 -53.55 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.7 m-20 -70.45 -16.2 62.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.21 -47.61 3.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.2 t -73.73 -41.49 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -57.3 -71.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -44.71 24.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.97 -48.21 82.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.8 t80 -61.77 -22.79 65.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.21 -11.24 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.291 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' O ' ' CD ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -97.11 -15.87 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.829 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.1 pt-20 -99.3 -25.71 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.829 HG23 ' HG3' ' A' ' 57' ' ' GLU . 66.2 p -111.04 -39.01 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.408 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.7 1.24 68.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.0 t -74.17 142.1 78.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 144.36 30.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.534 1.807 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -51.66 -57.17 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' O ' HG22 ' A' ' 67' ' ' VAL . 29.5 tt0 -45.93 -32.45 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -78.74 -52.51 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.963 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.21 -23.24 8.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HA ' HD11 ' A' ' 43' ' ' ILE . 9.7 ttpp -80.02 -72.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 63' ' ' GLN . 31.0 m -49.73 -46.15 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.55 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.8 t90 -37.94 -62.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.006 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.894 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.8 mt -43.94 -48.85 8.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' VAL . 10.5 t60 -64.46 -43.53 93.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.9 m-80 -62.85 -25.79 68.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.7 m-80 -90.61 -73.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.2 OUTLIER -50.5 172.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.6 82.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -70.51 107.17 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.26 -84.66 0.54 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 73.02 4.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.448 1.762 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.68 131.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.014 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 p -112.76 161.8 16.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -133.36 99.19 4.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 m -134.44 96.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.11 -100.77 2.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 m 47.85 83.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 110.023 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -57.82 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.01 -141.04 12.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.2 p -146.61 164.62 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.81 104.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.07 169.41 13.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -177.65 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.1 66.85 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.55 -172.03 28.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.05 78.55 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.97 -74.53 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 16' ' ' ILE . 11.0 tt -70.01 102.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.1 88.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.39 118.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 14.2 ttm105 -178.93 154.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.406 ' N ' ' HG2' ' A' ' 19' ' ' ARG . 20.4 t-160 65.17 49.31 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.28 53.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.468 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 1.2 p -118.83 157.63 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.51 54.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 9.0 m-85 -72.49 116.54 13.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -91.11 171.68 9.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -38.62 -38.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.8 tt0 -66.35 -69.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -50.81 -45.8 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -62.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.05 -43.74 82.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.567 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 13.2 mtm -70.67 -42.17 71.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.115 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -43.03 84.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.7 80.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD23 HD21 ' A' ' 65' ' ' LEU . 39.9 tp -72.02 -50.34 29.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.803 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -54.85 -45.97 74.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.3 -8.0 50.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -98.04 -49.83 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 42' ' ' ARG . 26.5 pt -81.12 -32.65 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.01 26.79 5.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.62 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 25.7 m95 64.04 21.93 12.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.691 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.6 ttt180 -126.82 151.51 48.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.722 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.0 mt -119.46 144.69 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -158.04 168.65 26.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -14.46 45.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -82.87 -48.59 10.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.8 m-20 -75.67 -14.95 60.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.06 -45.36 2.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.83 -46.12 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.345 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.6 t -73.43 -36.84 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.8 mm -63.87 -57.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -60.96 -28.32 68.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -78.64 -42.16 29.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.677 ' CZ ' HG21 ' A' ' 58' ' ' THR . 60.6 t80 -56.77 -34.26 67.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 52.3 t -70.25 -11.35 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -93.93 -19.87 20.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.848 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -99.16 -30.59 12.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.848 HG23 ' HG3' ' A' ' 57' ' ' GLU . 49.6 p -106.41 -58.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.71 0.12 23.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.5 t -73.99 142.89 80.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.757 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -75.02 140.91 25.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -48.78 -56.81 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 7.8 tt0 -46.13 -33.4 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.39 -49.92 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.95 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.23 -21.67 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.722 ' HA ' HD11 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -81.65 -70.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 70' ' ' HIS . 31.4 m -50.77 -46.28 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.509 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 83.5 t90 -38.27 -62.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.803 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.7 mt -43.95 -48.09 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.4 t60 -65.4 -42.72 92.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.606 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.1 m-80 -64.99 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -91.77 -74.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.3 OUTLIER -55.67 171.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.22 174.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.5 p -109.45 113.56 26.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.78 119.74 1.07 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.558 1.162 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.1 41.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m 63.6 133.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.75 -59.03 2.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t -119.96 -59.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -111.74 93.8 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.52 169.35 0.95 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.31 -66.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.788 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -154.08 158.23 40.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.981 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.8 87.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.0 p -115.16 107.22 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -147.83 95.26 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.66 142.1 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.04 -61.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.5 116.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.08 -126.44 8.43 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.77 -110.65 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -134.5 -143.43 4.84 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -117.65 113.41 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 42.19 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 110.79 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -172.15 135.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -65.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -160.77 86.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.545 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.2 p -113.01 157.16 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.454 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 69.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CG ' ' HE1' ' A' ' 32' ' ' MET . 5.0 m-85 -72.55 116.36 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -89.99 174.41 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.07 -47.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.78 -71.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.4 mm-40 -46.82 -47.32 21.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -59.11 5.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.69 -36.63 69.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.69 -59.8 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.755 ' HG2' HD23 ' A' ' 65' ' ' LEU . 31.8 mtm -57.64 -48.2 80.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -43.48 69.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.58 -33.36 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.43 HD23 HD21 ' A' ' 65' ' ' LEU . 17.8 tp -70.55 -50.7 34.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.8 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.07 -47.51 74.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -69.27 -7.96 41.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 42' ' ' ARG . 27.6 pt -79.29 -32.63 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 109.21 23.93 6.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.634 ' HA ' HD22 ' A' ' 69' ' ' LEU . 37.3 m95 67.03 22.21 10.05 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.722 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.8 ttp-105 -128.2 151.14 49.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.608 HD11 ' CD1' ' A' ' 69' ' ' LEU . 2.1 mp -127.11 133.31 68.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -142.12 173.4 11.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -12.15 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.96 -51.09 6.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 23.0 m-20 -68.57 -13.57 62.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -44.22 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -44.99 94.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -70.96 -37.95 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 43' ' ' ILE . 3.0 mm -63.02 -66.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -52.39 -29.14 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -76.73 -54.31 6.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.7 t80 -54.62 -22.42 13.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 20.7 t -79.82 -19.99 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.81 -21.98 40.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.2 pt-20 -96.84 -32.57 12.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 77.2 p -99.57 -59.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.83 -1.15 25.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' HD2' ' A' ' 61' ' ' PRO . 76.4 t -74.05 142.47 79.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.667 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.04 143.27 28.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -51.44 -56.89 10.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -45.25 -35.95 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.591 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.2 t -72.79 -58.88 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.2 tm? -53.69 -20.76 5.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.92 -72.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.8 t -57.72 -36.34 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 89.6 t90 -41.56 -56.73 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.8 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 4.1 mt -48.48 -56.41 8.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -56.22 -38.18 70.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.64 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.47 -30.58 70.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' ASN . 1.9 m-80 -86.21 -80.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 14.9 ptmt -45.52 136.8 5.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.18 98.78 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.8 p -131.06 88.08 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -110.86 99.99 1.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.34 5.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.18 132.42 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.9 p -143.2 128.82 19.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.2 170.42 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -150.39 -58.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 136.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -102.9 126.46 50.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -75.82 -58.52 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.46 135.53 1.98 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.464 1.103 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.33 153.22 43.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.07 117.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.3 115.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -134.34 136.11 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.04 113.89 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.52 -138.68 4.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.01 -130.12 5.66 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.21 95.57 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.04 113.36 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 158.94 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 104.29 10.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -66.18 145.54 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 1.5 p-80 -106.94 110.27 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.61 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.86 62.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.549 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 67.9 p -118.78 158.38 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -149.24 67.9 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 8.3 m-85 -71.75 116.19 11.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.57 167.36 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.59 -40.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.17 -71.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.7 mm-40 -48.92 -47.89 43.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 -65.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -53.73 -39.55 65.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -55.52 -41.5 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.698 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -74.48 -46.1 41.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -42.8 73.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.24 -36.08 80.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 HD11 ' A' ' 65' ' ' LEU . 28.4 tp -70.72 -50.68 33.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.837 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.3 -45.75 76.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.78 -7.81 52.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -97.44 -50.3 4.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.5 pt -83.05 -32.57 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.03 23.55 6.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.759 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 20.7 m95 67.79 17.13 9.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.4 ttt180 -123.43 150.95 43.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.7 mt -118.55 138.92 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.99 168.55 22.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -14.53 46.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.8 -51.44 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 19.9 m-20 -72.64 -15.47 61.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.98 -50.35 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.8 OUTLIER -53.17 -45.37 68.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 0.0 110.325 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -71.89 -39.26 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.49 -69.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -49.51 -32.98 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 16.1 tpp85 -72.2 -54.35 9.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.737 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.9 OUTLIER -54.32 -28.54 43.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.001 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 98.2 m -72.55 -11.69 60.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 108.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.6 -31.2 15.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.659 ' HG3' HG23 ' A' ' 58' ' ' THR . 13.2 pt-20 -84.68 -32.17 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.737 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 69.8 p -98.79 -55.24 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.74 0.03 34.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG13 ' HD2' ' A' ' 61' ' ' PRO . 93.6 t -74.1 142.23 78.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.629 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.9 30.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -58.84 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.237 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 67' ' ' VAL . 4.1 tt0 -44.57 -32.41 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.581 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -78.96 -55.23 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.876 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -53.24 -25.97 16.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HA ' HD11 ' A' ' 43' ' ' ILE . 8.0 ttmt -77.08 -71.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 63' ' ' GLN . 20.5 m -50.11 -44.02 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.698 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 86.5 t90 -39.28 -62.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.837 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt -43.9 -45.92 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.3 t60 -68.43 -37.66 80.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.599 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.8 m-80 -70.12 -22.35 63.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.453 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.0 m-80 -93.12 -69.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -62.58 172.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 89.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.553 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.41 146.97 33.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.4 66.49 2.81 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' SER . 18.2 Cg_endo -75.0 60.41 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.1 m 65.19 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -158.08 109.93 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -151.02 134.75 16.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m 71.27 -61.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.89 -73.12 2.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.11 163.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.773 . . . . 0.0 109.954 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -172.97 146.31 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.99 -94.94 0.1 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -114.66 159.74 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.06 -58.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.023 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.65 157.57 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 156.72 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.91 172.62 8.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.55 177.28 15.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.528 1.142 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.55 -143.21 7.23 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.92 -120.11 4.29 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.9 mm -83.53 98.38 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.14 17.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? 66.02 104.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.78 96.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.4 163.66 12.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.91 127.75 44.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.553 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 12.9 p -113.79 157.57 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.63 70.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.553 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 15.9 m-85 -75.12 116.22 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -86.42 168.86 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.408 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.22 -40.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.8 -70.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.0 mm-40 -48.85 -46.69 42.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -56.19 -62.71 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.88 -40.01 72.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 mmp_? -55.9 -50.55 70.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 65' ' ' LEU . 11.5 mtm -67.6 -41.91 83.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.02 84.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.51 -33.37 75.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.74 -52.32 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.865 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.33 -43.9 68.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -73.22 -7.95 53.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.31 -50.14 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.916 HD12 ' O ' ' A' ' 42' ' ' ARG . 43.7 pt -83.19 -32.75 9.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 108.14 29.69 4.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.865 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 6.4 m95 57.83 39.98 26.44 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.916 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -143.69 151.17 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.9 mt -116.46 142.86 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -156.08 169.07 25.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -18.79 65.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -81.63 -51.91 7.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' VAL . 5.9 m-20 -70.46 -17.92 62.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -40.24 -54.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 1.6 mt-10 -45.78 -42.83 12.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.2 t -78.4 -39.47 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.27 -71.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ASP . 4.3 mt-30 -48.48 -32.95 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 18.5 tpp85 -72.09 -53.82 11.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.695 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -54.76 -27.02 38.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.3 m -75.12 -10.99 59.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -90.19 -30.51 17.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.593 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.9 pt-20 -86.32 -34.87 20.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.695 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 68.9 p -94.27 -52.24 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.33 1.31 47.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 61' ' ' PRO . 89.6 t -73.94 142.51 79.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.743 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 143.99 29.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -51.72 -57.25 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.7 tt0 -45.9 -31.81 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.38 -51.42 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.878 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.7 tm? -57.11 -23.74 49.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.609 ' HA ' HD11 ' A' ' 43' ' ' ILE . 3.0 ttmt -78.76 -67.71 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 63' ' ' GLN . 32.5 m -53.22 -47.46 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 67' ' ' VAL . 86.7 t90 -37.29 -61.56 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.655 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.0 mt -46.88 -54.73 9.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -57.84 -34.61 69.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.642 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.5 m-80 -71.28 -14.94 62.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' LYS . 4.4 m-80 -122.11 -89.47 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER 36.37 63.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -40.47 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.567 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LYS . 31.8 m -123.1 176.8 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -121.43 0.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 110.39 3.11 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.469 1.773 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.65 88.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.85 172.41 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 p -167.07 139.72 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m 60.14 151.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.91 -97.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.92 84.59 2.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 110.038 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.74 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.81 -114.2 2.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p 46.63 90.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.012 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -172.96 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.45 90.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.07 167.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -155.66 86.23 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.26 172.55 8.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.56 -158.32 13.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -152.05 -177.46 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 59.6 mt -81.88 97.39 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.81 117.72 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.16 89.05 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -41.81 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.04 74.71 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.651 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 84.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.555 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 6.8 p -118.86 157.47 27.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.373 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.57 71.3 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 5.3 m-85 -75.03 115.8 15.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.75 164.97 20.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.348 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.86 -35.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.7 tt0 -69.73 -70.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.1 mm-40 -54.64 -44.76 73.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -53.84 -59.29 4.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.88 -48.92 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 1.4 mmp_? -44.31 -48.17 9.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.599 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 10.3 mtt -70.36 -44.67 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -45.99 82.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.4 tp -72.26 -52.33 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -53.12 -47.55 68.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -68.76 -8.03 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -99.96 -49.37 4.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 42' ' ' ARG . 39.6 pt -78.45 -33.11 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 105.62 32.07 4.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.666 ' HA ' HD22 ' A' ' 69' ' ' LEU . 24.1 m95 56.8 36.85 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.853 ' O ' HD12 ' A' ' 39' ' ' ILE . 6.1 ttt180 -139.43 153.19 47.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 22.6 mt -125.53 115.12 42.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -124.18 169.77 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -11.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -86.32 -52.5 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' VAL . 32.5 m-20 -68.74 -16.33 63.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -53.27 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.3 -43.43 53.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.5 t -74.05 -42.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.402 HD12 HG12 ' A' ' 43' ' ' ILE . 3.4 mm -56.84 -70.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -44.43 29.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -60.51 -52.51 64.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CZ ' HG21 ' A' ' 58' ' ' THR . 1.0 OUTLIER -54.61 -26.29 31.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.5 m -74.95 -15.17 60.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -84.02 -33.46 24.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 11.8 pt-20 -84.29 -33.29 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 67.5 p -96.04 -64.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 116.91 -0.1 19.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 61' ' ' PRO . 94.6 t -73.92 142.32 79.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.78 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.01 143.71 29.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.798 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -52.39 -55.86 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.633 ' O ' HG23 ' A' ' 67' ' ' VAL . 15.0 tt0 -46.78 -32.03 3.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -77.72 -53.83 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.947 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -54.21 -20.09 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.9 ttpm? -82.39 -72.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 63' ' ' GLN . 13.3 t -51.25 -35.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 83.2 t90 -44.81 -56.44 4.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 41' ' ' TRP . 9.9 mt -46.44 -57.76 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -56.98 -39.53 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -63.51 -27.74 69.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -95.18 -79.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -44.17 118.65 1.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -75.04 85.2 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.582 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.7 110.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.41 93.91 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.4 p -86.43 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.4 p -123.39 126.93 47.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.036 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -172.11 135.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.035 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.46 137.34 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.58 -77.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.33 94.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 p -157.85 153.4 26.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.13 59.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 p -178.7 165.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 t -139.69 86.43 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.56 96.02 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.96 113.51 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.12 129.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -41.24 -58.99 2.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.93 87.19 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.35 -105.96 2.94 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 mt -82.33 94.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 152.86 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -41.31 135.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.11 -64.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -171.0 95.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.572 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.29 54.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.556 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 46.2 p -119.09 157.52 27.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.59 65.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 16.0 m-85 -73.91 116.51 14.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -87.79 170.67 11.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.65 -40.76 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -62.38 -71.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.495 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.2 mm-40 -49.45 -46.28 47.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.26 -61.16 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.33 -49.06 77.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 57' ' ' GLU . 0.6 OUTLIER -47.64 -47.47 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.554 ' HE1' ' CD1' ' A' ' 24' ' ' PHE . 13.3 mtm -70.62 -41.58 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -44.84 88.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -36.04 82.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.4 tp -70.99 -49.43 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.688 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -55.61 -43.63 76.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -73.53 -8.15 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -46.38 5.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.762 HD12 ' O ' ' A' ' 42' ' ' ARG . 16.0 pt -85.27 -32.97 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 112.05 23.59 5.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.744 ' HA ' HD22 ' A' ' 69' ' ' LEU . 40.4 m95 69.13 10.57 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.762 ' O ' HD12 ' A' ' 39' ' ' ILE . 30.6 ptt180 -115.51 170.95 8.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 39.0 mt -131.61 138.95 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -153.43 172.02 17.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -17.59 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.27 -44.06 15.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 48' ' ' ASP . 58.5 m-20 -73.62 -21.07 60.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -39.08 -62.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.97 -42.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.9 t -77.22 -41.15 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.4 mm -55.97 -50.78 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -68.37 -48.16 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -57.66 -39.93 78.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CZ ' HG21 ' A' ' 58' ' ' THR . 42.5 t80 -62.17 -45.0 95.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.3 t -62.99 -15.67 57.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -84.87 -34.25 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.683 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.3 pt-20 -86.46 -34.99 19.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.683 HG23 ' HG3' ' A' ' 57' ' ' GLU . 73.7 p -97.07 -71.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.48 1.01 7.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.0 t -74.14 142.89 79.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.67 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.02 140.13 25.02 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.18 -53.23 22.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.1 tt0 -48.92 -31.97 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.63 -48.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.893 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -55.57 -20.72 14.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 3.1 ttpp -80.94 -70.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 71' ' ' ASN . 23.5 m -51.97 -44.67 39.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.459 ' CD2' ' ND2' ' A' ' 72' ' ' ASN . 81.8 t90 -39.27 -61.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 41' ' ' TRP . 6.3 mt -44.1 -46.39 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.5 t60 -68.5 -34.86 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.0 m-80 -73.15 -17.69 61.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.2 m-80 -99.09 -68.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.3 OUTLIER -59.17 178.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.49 115.64 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -75.56 -65.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.06 -173.28 35.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.09 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.6 p -154.25 -58.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.2 t -77.09 84.81 3.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.27 -58.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 65.4 148.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.62 87.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 147.88 27.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.6 -58.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.56 89.3 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.5 p -152.06 96.8 2.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.752 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -153.15 80.85 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.11 93.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -167.63 158.43 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.49 64.87 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.03 88.64 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.3 106.86 0.27 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.09 -156.77 22.11 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 16' ' ' ILE . 1.1 tt -102.0 112.35 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 63.51 143.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 155.22 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -161.81 48.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.49 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER 55.53 171.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.622 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 tpt180 83.77 73.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.564 ' CB ' ' CZ ' ' A' ' 24' ' ' PHE . 7.0 p -114.58 157.98 22.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 66.45 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CZ ' ' CB ' ' A' ' 22' ' ' THR . 9.8 m-85 -72.22 116.43 12.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.92 170.22 11.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.91 -39.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.46 -70.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.5 mm-40 -49.87 -45.73 50.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -61.7 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.59 -46.53 83.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -49.05 -52.78 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 18.7 mtm -66.04 -45.62 80.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -47.72 79.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.59 70.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.8 tp -76.54 -54.13 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.905 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.26 -17.45 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -92.1 -8.03 46.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.51 -17.12 14.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 ' HG3' ' A' ' 38' ' ' ARG . 21.6 pt -111.06 -32.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.35 26.24 6.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 17.8 m95 61.33 39.48 15.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -140.14 157.08 46.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.8 mt -121.68 140.94 44.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -156.68 178.94 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -3.93 32.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -95.07 -45.72 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.636 ' OD1' HG22 ' A' ' 39' ' ' ILE . 22.5 m-20 -78.48 -16.42 57.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.2 t0 -39.49 -61.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -42.86 -41.22 3.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.3 t -76.64 -43.82 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 43' ' ' ILE . 3.3 mm -56.08 -63.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -46.73 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 19.7 tpt180 -58.27 -48.3 80.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.849 ' CZ ' HG21 ' A' ' 58' ' ' THR . 16.9 t80 -54.8 -30.25 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 50.5 t -73.52 -10.43 59.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.23 -20.13 20.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.749 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.8 pt-20 -99.24 -36.47 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.849 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 74.4 p -98.14 -52.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.394 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.79 1.61 39.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HD2' ' A' ' 61' ' ' PRO . 99.5 t -73.92 142.24 79.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.628 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 141.7 27.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -49.64 -55.91 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' O ' HG22 ' A' ' 67' ' ' VAL . 9.0 tt0 -47.12 -31.19 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.574 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -81.02 -48.52 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.949 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.6 tm? -58.78 -17.08 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.708 ' HA ' HD11 ' A' ' 43' ' ' ILE . 5.6 ttpp -84.18 -69.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.1 m -54.95 -47.44 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 81.8 t90 -36.54 -61.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.905 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.0 mt -42.29 -52.17 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . 14.0 t60 -63.86 -48.09 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -49.98 -28.35 6.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -95.12 -60.55 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HG3' ' CE3' ' A' ' 41' ' ' TRP . 8.8 mtpt -51.1 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 65.85 112.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.596 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 t -173.31 172.88 3.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.26 154.09 8.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -53.32 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.8 t -102.21 94.19 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.4 m 60.44 159.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.17 114.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -59.16 -58.38 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.12 -139.17 5.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -86.41 141.33 29.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 138.92 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.15 -67.08 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -45.68 140.58 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 77.7 p -114.8 126.75 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' SER . . . 70.33 -71.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -169.64 163.19 10.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.84 167.88 9.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -106.63 0.83 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.19 -80.23 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.05 133.6 8.05 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.1 mt -99.07 109.2 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 142.41 40.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -123.75 68.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -155.55 99.98 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.53 -61.75 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 96.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.619 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 1.1 p -92.7 158.1 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.421 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.64 78.21 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.619 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 20.8 m-85 -72.52 116.64 13.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -88.11 169.74 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -38.34 -40.16 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.2 tt0 -63.04 -69.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.515 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.0 mm-40 -51.15 -45.74 61.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.51 -44.93 73.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 7.3 mmp_? -49.54 -54.0 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.489 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 16.0 mtt -66.19 -41.68 89.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -44.8 81.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.37 -33.76 76.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.44 -51.81 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.774 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -53.37 -44.68 68.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -71.97 -7.7 50.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -99.33 -49.42 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.014 HD12 ' O ' ' A' ' 42' ' ' ARG . 47.3 pt -81.82 -32.67 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 106.04 28.02 5.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.584 1.178 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.734 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 13.2 m95 61.44 40.09 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 1.014 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.2 ttt180 -142.03 150.83 41.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.4 mt -120.0 140.34 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -153.55 176.23 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -6.3 42.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -91.59 -47.81 7.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 50' ' ' VAL . 49.9 m-20 -72.31 -12.49 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER -41.41 -59.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' HG23 ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.34 -36.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' HG2' ' A' ' 49' ' ' GLU . 3.7 t -83.92 -37.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' ASP . 2.8 mm -63.48 -58.4 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -61.55 -31.72 71.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -73.95 -49.78 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 58' ' ' THR . 12.6 t80 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 39.9 t -68.18 -16.67 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -80.64 -34.54 34.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.9 pt-20 -86.9 -36.73 18.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.601 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 72.0 p -93.19 -71.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.88 1.63 8.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 61' ' ' PRO . 74.2 t -73.93 142.91 80.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.99 140.57 25.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -49.2 -54.11 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.3 tm0? -48.19 -32.39 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.577 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.46 -48.65 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.937 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.0 tm? -56.85 -23.07 41.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.71 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.4 ttmm -78.62 -68.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 63' ' ' GLN . 30.2 m -53.36 -44.6 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.475 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 85.1 t90 -39.46 -63.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.774 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 7.1 mt -43.45 -44.14 5.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' VAL . 12.9 t60 -69.33 -38.29 78.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 2.3 m-80 -70.06 -18.91 63.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 4.8 m-80 -97.72 -70.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 4.8 ptmt -53.02 177.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -138.14 104.39 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -160.44 87.26 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.44 166.5 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.03 31.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 p -157.95 145.54 18.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 63.9 m -151.48 126.51 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -118.41 94.48 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.83 130.54 39.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.66 -169.02 13.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -172.22 151.29 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -58.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.026 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.11 102.14 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -140.92 119.61 12.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -58.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.58 -60.39 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.6 142.26 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.02 133.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.77 -74.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.55 -174.45 33.44 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -108.2 94.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.64 173.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -65.65 106.18 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -57.13 153.29 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -148.51 59.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.62 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -166.55 76.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 1.2 p -118.69 146.03 45.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 76.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 11.1 m-85 -72.32 116.18 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -90.8 173.09 8.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.98 -47.19 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -57.27 -71.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 9.3 mm-40 -50.02 -45.92 52.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -62.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.7 -43.99 76.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.58 -54.29 23.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.561 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 22.2 mtm -65.12 -37.55 87.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -45.88 84.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.76 -26.73 67.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.4 tp -82.23 -52.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.715 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -58.07 -16.34 12.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -88.76 -7.92 55.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -107.86 -17.77 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.966 HD12 ' O ' ' A' ' 42' ' ' ARG . 25.4 pt -107.17 -32.64 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.64 29.3 5.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.646 ' HA ' HD22 ' A' ' 69' ' ' LEU . 12.7 m95 60.59 38.25 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.966 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.5 ttm-85 -142.05 150.01 40.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.599 HD11 ' CD1' ' A' ' 69' ' ' LEU . 3.3 mp -116.34 157.65 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' ILE . 1.5 mt-30 -168.82 -175.34 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -16.92 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -82.45 -42.37 18.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -82.17 -14.69 55.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.22 -44.56 2.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -57.72 -45.81 85.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.0 t -72.58 -38.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -64.02 -64.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -55.04 -26.14 35.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 11.6 tpt180 -79.96 -46.04 17.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 58' ' ' THR . 21.7 t80 -53.05 -32.11 45.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.8 t -68.75 -16.82 63.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -86.28 -22.42 26.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.866 ' HG3' HG23 ' A' ' 58' ' ' THR . 5.4 pt-20 -97.37 -24.98 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.866 HG23 ' HG3' ' A' ' 57' ' ' GLU . 42.0 p -112.37 -66.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.17 2.78 10.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 61' ' ' PRO . 68.8 t -73.98 143.36 80.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 136.3 20.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.27 -46.27 35.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -55.25 -28.6 54.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.579 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -82.67 -45.1 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -55.53 -18.89 8.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -82.64 -72.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 71' ' ' ASN . 29.2 m -53.35 -45.85 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.507 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 81.7 t90 -37.99 -61.32 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 108.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.715 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mt -45.79 -49.24 15.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' VAL . 8.9 t60 -65.11 -29.98 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.631 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 m-80 -80.29 -15.2 57.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.478 ' OD1' ' CZ2' ' A' ' 68' ' ' TRP . 2.6 m-80 -101.6 -72.53 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -58.61 126.49 27.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.431 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.0 OUTLIER -87.95 154.51 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.571 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 74' ' ' HIS . 0.5 OUTLIER 164.66 123.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.989 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.81 157.0 28.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.22 4.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -50.99 105.98 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -39.52 -63.6 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -101.35 103.94 14.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.41 87.64 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.92 127.95 7.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.28 145.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -40.35 111.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.04 -115.48 4.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t 63.19 106.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 110.018 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.12 82.83 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.82 124.32 43.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -104.74 -58.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.79 164.05 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.96 -140.02 3.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.7 -86.57 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.6 127.23 3.27 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 mt -78.47 97.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 94.04 1.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.34 77.16 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -153.7 110.88 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.51 112.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -64.81 127.07 30.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 33.4 p -114.27 157.66 22.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.59 68.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 5.2 m-85 -72.16 116.52 12.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -92.49 174.29 7.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.02 -71.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.489 ' OE1' HG23 ' A' ' 60' ' ' VAL . 9.9 mm-40 -48.58 -46.66 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -62.02 2.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.62 -41.51 73.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -56.06 -58.15 9.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 15.8 mtm -61.43 -46.6 89.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -43.44 86.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.44 66.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 3.5 tp -82.59 -52.85 6.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -58.92 -15.54 13.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -92.11 -8.28 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.66 -17.09 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.98 HD12 ' O ' ' A' ' 42' ' ' ARG . 49.9 pt -110.21 -31.79 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.38 26.94 6.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.946 ' HA ' HD22 ' A' ' 69' ' ' LEU . 8.4 m95 62.09 40.63 11.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.98 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.1 ttp180 -142.65 152.73 42.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CD1' ' A' ' 69' ' ' LEU . 4.3 mp -120.62 140.14 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -145.39 -175.53 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.336 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -82.11 1.76 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -99.71 -40.07 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' VAL . 39.6 m-20 -83.44 -11.84 57.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.35 -43.59 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -44.69 96.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.1 t -71.06 -35.51 59.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.471 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.9 mm -65.78 -57.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.6 -27.88 69.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CD ' ' HG2' ' A' ' 56' ' ' GLN . 10.3 tpp180 -79.28 -44.53 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' HG21 ' A' ' 58' ' ' THR . 41.3 t80 -54.68 -38.03 66.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 42.1 t -65.05 -14.34 60.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -89.02 -25.06 22.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.831 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.1 pt-20 -95.22 -26.51 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 57' ' ' GLU . 40.1 p -110.34 -66.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.27 1.05 10.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 61' ' ' PRO . 71.7 t -73.98 143.05 80.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 139.59 24.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HD2' HG21 ' A' ' 51' ' ' ILE . 1.3 ttt-85 -52.46 -46.2 66.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.532 ' O ' HG22 ' A' ' 67' ' ' VAL . 3.4 tt0 -55.82 -26.08 44.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.58 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -83.11 -49.72 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.864 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.7 tm? -55.11 -21.21 12.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 ttmt -80.71 -72.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 63' ' ' GLN . 26.1 m -52.13 -45.58 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 74.3 t90 -37.13 -54.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.002 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' HA ' ' A' ' 41' ' ' TRP . 2.7 mt -53.4 -54.92 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' VAL . 8.9 t60 -58.01 -30.34 66.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.4 m-80 -79.19 -8.02 58.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' LYS . 3.4 m-80 -130.51 -90.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.536 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 5.1 mtpp 36.21 57.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 77.16 118.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t 72.31 164.36 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.16 99.66 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.93 6.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.538 1.81 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -129.24 134.28 47.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.68 86.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -105.43 80.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t 41.3 81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.0 77.29 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.59 116.92 8.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.7 148.46 50.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.956 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.64 -64.36 2.84 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.5 p -101.86 157.18 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.34 158.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.17 173.73 10.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.26 128.77 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.02 -60.37 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.47 -81.42 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.97 -152.79 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.64 -112.97 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -74.4 96.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.63 168.71 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.11 94.95 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -48.49 153.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -150.6 75.75 1.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.573 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -154.58 68.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 20.4 p -114.21 157.76 22.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.09 69.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.596 ' CD1' ' CE ' ' A' ' 32' ' ' MET . 7.3 m-85 -72.25 116.72 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.76 171.19 9.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.378 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -39.24 -37.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.36 -70.07 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.1 mm-40 -49.71 -46.81 50.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -55.85 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.92 -39.98 96.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -60.16 -48.56 81.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 24' ' ' PHE . 11.7 mtt -68.14 -46.02 71.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -39.84 92.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.07 66.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 4.3 tp -82.58 -52.49 6.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -56.94 -16.73 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -93.57 -7.61 43.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.812 ' HE ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -106.81 -14.92 14.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' O ' ' A' ' 42' ' ' ARG . 28.9 pt -110.42 -32.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.27 21.29 7.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.933 ' HA ' HD22 ' A' ' 69' ' ' LEU . 39.9 m95 67.62 38.57 3.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.938 ' O ' HD12 ' A' ' 39' ' ' ILE . 12.4 ptp180 -143.71 176.32 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 66' ' ' LYS . 19.9 mt -138.81 143.36 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -150.45 179.97 7.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.1 2.52 23.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -102.48 -32.13 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.716 ' OD2' HG22 ' A' ' 39' ' ' ILE . 4.1 m-20 -88.79 -12.04 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' ILE . 14.9 m-20 -40.57 -65.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -40.78 -35.28 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.812 HG11 ' HE ' ' A' ' 38' ' ' ARG . 3.3 t -81.93 -43.32 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' A' ' 62' ' ' ARG . 4.3 mm -59.77 -42.46 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -76.53 -27.42 55.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -78.57 -36.34 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' A' ' 58' ' ' THR . 57.1 t80 -63.43 -47.12 83.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 44.7 t -63.0 -14.82 52.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -80.14 -32.78 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.566 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.0 pt-20 -92.33 -37.91 12.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 64.6 p -90.98 -69.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.69 -0.66 9.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 61' ' ' PRO . 97.4 t -73.96 141.22 78.07 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.603 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.98 147.09 33.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -54.62 -58.76 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -44.2 -33.59 1.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.603 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -74.54 -57.34 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.982 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.4 tm? -55.31 -20.74 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 43' ' ' ILE . 1.6 tttp -78.62 -72.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 71' ' ' ASN . 51.0 t -53.64 -39.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 75.7 t90 -41.53 -53.56 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.933 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt -53.56 -58.9 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -52.23 -31.92 34.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.643 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 67' ' ' VAL . 4.6 m-20 -73.52 -23.62 60.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' LEU . 8.7 m-80 -117.55 -89.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 0.8 OUTLIER 41.82 -163.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -62.86 102.36 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 121.38 35.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -80.76 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.02 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.59 157.2 42.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.57 152.95 45.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -139.82 115.76 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 p -159.67 146.59 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.16 166.93 12.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -88.24 102.54 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.99 91.95 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.18 155.47 8.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.11 134.85 34.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -48.27 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.19 152.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.17 78.74 7.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 61.84 94.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.43 123.82 2.48 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.87 92.62 0.37 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.19 96.42 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.1 116.59 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.18 146.44 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' NE2' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -122.42 86.98 2.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -159.66 76.63 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CD2' HG22 ' A' ' 64' ' ' VAL . 12.1 p-80 -136.23 -70.51 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.627 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' H ' ' CD2' ' A' ' 20' ' ' HIS . 23.2 ttt85 57.43 109.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.616 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -110.4 158.0 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.32 84.56 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.616 ' CE1' ' OG1' ' A' ' 22' ' ' THR . 7.7 m-85 -73.01 116.31 13.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -89.11 171.34 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.421 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.92 -48.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -54.95 -71.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' OE1' HG23 ' A' ' 60' ' ' VAL . 10.3 mm-40 -49.5 -46.28 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -61.95 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.21 -42.97 78.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -51.95 -53.02 46.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HE2' HG21 ' A' ' 60' ' ' VAL . 16.5 mtt -67.55 -44.22 78.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -46.68 87.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.69 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 3.4 tp -78.88 -54.09 6.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.686 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.23 -17.94 8.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.18 -7.69 57.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.597 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -109.15 -17.35 13.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 42' ' ' ARG . 37.1 pt -108.98 -32.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.644 ' HA ' HD22 ' A' ' 69' ' ' LEU . 13.5 m95 59.96 41.95 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.877 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -144.17 155.06 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 66' ' ' LYS . 4.5 mt -117.91 138.99 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -148.82 176.45 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -66.86 -34.03 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -68.78 -48.56 63.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' VAL . 8.5 m-20 -75.43 -22.38 57.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.6 t0 -39.9 -39.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.97 -50.68 69.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.7 t -68.35 -37.5 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.2 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.29 -32.05 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' A' ' 56' ' ' GLN . 19.6 tpp85 -72.5 -59.64 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.922 ' CZ ' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -46.8 -26.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.01 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 23.6 m -61.52 -16.9 51.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 108.263 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' ARG . 4.2 pt20 -98.1 -33.56 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HG3' HG23 ' A' ' 58' ' ' THR . 0.0 OUTLIER -72.02 -23.7 61.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.922 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 28.9 p -116.44 -37.83 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.369 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.28 -2.06 60.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 61' ' ' PRO . 72.7 t -75.62 142.81 74.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.93 147.12 33.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.527 1.804 . . . . 0.0 111.065 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.503 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.7 tt0 -40.89 -35.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.583 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.5 t -75.51 -50.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.899 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.3 tm? -52.02 -28.6 17.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HA ' HD11 ' A' ' 43' ' ' ILE . 15.7 ttpt -74.81 -72.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 63' ' ' GLN . 28.2 m -48.52 -45.44 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CD2' ' SD ' ' A' ' 32' ' ' MET . 82.7 t90 -38.53 -62.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 107.998 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.686 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.2 mt -44.12 -47.62 9.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.5 t60 -66.61 -35.02 79.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.644 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 67' ' ' VAL . 1.9 m-80 -72.66 -22.66 60.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' TRP . 3.6 m-80 -94.06 -70.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.93 172.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 54.89 93.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.648 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.61 125.48 22.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.08 87.34 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 89.62 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.45 113.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.14 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -138.86 139.29 38.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 61.23 154.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.15 92.78 0.86 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 t -107.98 123.14 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.75 84.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.04 83.89 1.22 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -164.5 106.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.026 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER 66.51 -73.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' SER . . . 68.37 107.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 42.02 85.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.91 -59.18 1.76 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 142.31 41.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.45 72.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.03 -123.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.08 107.59 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.05 139.79 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.07 173.0 11.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 162.87 17.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -104.88 63.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 65.93 134.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.609 ' OG1' ' CE1' ' A' ' 24' ' ' PHE . 1.5 p -97.99 157.88 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 77.77 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.655 ' CE1' ' HE1' ' A' ' 32' ' ' MET . 47.3 m-85 -72.41 116.08 12.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -84.52 168.05 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.74 -39.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -65.3 -71.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 32' ' ' MET . 11.6 mm-40 -46.9 -47.77 21.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 -61.72 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 1.3 mt-10 -57.92 -35.39 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -62.61 -49.66 74.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.96 ' SD ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -70.34 -45.71 65.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -45.92 91.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . . . -65.59 -28.25 69.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 2.3 tp -79.05 -53.76 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -57.87 -16.24 11.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.363 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -90.0 -7.59 53.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.38 -17.39 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.911 HD12 ' O ' ' A' ' 42' ' ' ARG . 38.7 pt -107.35 -30.44 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.37 27.2 6.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.823 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.4 m95 62.33 33.24 16.59 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.911 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 ttp-105 -136.62 151.0 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.753 HD11 HD11 ' A' ' 69' ' ' LEU . 3.4 mp -123.39 132.87 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.52 -177.64 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.05 -13.88 60.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -83.26 -55.57 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 50' ' ' VAL . 53.4 m-20 -70.47 -12.76 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.63 -40.43 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.81 84.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -72.07 -39.18 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.74 -67.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -50.42 -37.0 35.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -69.59 -52.6 24.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.727 ' CE2' HG21 ' A' ' 58' ' ' THR . 0.6 OUTLIER -55.14 -29.11 57.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 94.7 m -71.52 -11.43 60.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -90.26 -34.28 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 58' ' ' THR . 8.5 pt-20 -82.05 -36.52 27.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.727 HG21 ' CE2' ' A' ' 54' ' ' PHE . 77.9 p -92.55 -47.6 7.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.49 -3.4 53.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.595 HG13 ' HD2' ' A' ' 61' ' ' PRO . 86.5 t -74.03 141.55 78.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.599 ' HG2' ' CG2' ' A' ' 64' ' ' VAL . 18.2 Cg_endo -75.0 148.28 35.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -58.58 -55.34 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -47.6 -27.74 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.599 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.7 t -78.96 -60.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.96 HD23 ' SD ' ' A' ' 32' ' ' MET . 2.8 tm? -54.44 -24.97 22.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD13 ' A' ' 43' ' ' ILE . 2.5 tttp -66.37 -70.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.88 -33.53 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.531 ' CG ' ' HE3' ' A' ' 32' ' ' MET . 76.4 t90 -41.87 -59.29 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 41' ' ' TRP . 4.0 mt -47.05 -57.36 5.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -53.28 -41.29 65.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.165 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -26.41 68.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -93.21 -82.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.13 106.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -70.89 -67.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.596 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.26 144.52 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.23 -174.27 14.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.97 6.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.62 100.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.86 105.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m -108.91 78.93 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.962 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -158.89 169.89 23.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.7 63.37 1.9 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 106.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -45.97 -58.03 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.47 132.45 4.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.15 79.44 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -159.64 110.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.24 93.08 2.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.52 127.39 49.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -129.11 -61.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.9 59.04 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.66 -70.28 2.38 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.18 124.61 6.55 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 pt -59.95 100.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.79 150.63 25.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 178.12 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 20' ' ' HIS . 25.1 ptt180 178.1 -48.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 0.4 OUTLIER 179.08 109.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.087 . . . . 0.0 109.615 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -175.1 39.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.56 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.9 p -104.81 157.57 17.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -157.27 68.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 4.4 m-85 -72.84 115.91 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -83.44 164.84 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.79 ' HB1' ' OE2' ' A' ' 30' ' ' GLU . . . -35.17 -37.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 6.1 tt0 -67.14 -70.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 8.6 mm-40 -53.78 -45.46 70.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -63.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.79 ' OE2' ' HB1' ' A' ' 26' ' ' ALA . 34.1 mt-10 -56.33 -48.67 76.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.7 mmp_? -43.08 -50.75 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 11.9 mtt -66.58 -45.55 78.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -48.23 75.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -32.76 72.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 6.7 tp -74.36 -53.77 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.818 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -56.48 -17.25 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -92.68 -8.12 44.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -108.07 -18.17 13.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.96 HD12 ' O ' ' A' ' 42' ' ' ARG . 44.9 pt -111.33 -32.62 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.96 26.51 6.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.676 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 12.1 m95 62.14 41.3 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.96 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.6 ttt180 -142.64 152.45 42.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 6.8 mt -117.26 128.05 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -136.11 -177.86 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.8 1.38 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -101.4 -30.93 11.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 34.6 m-20 -90.81 -12.31 36.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.87 -47.9 4.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.32 -41.87 72.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 5.3 t -75.42 -42.28 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mm -56.3 -64.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -48.47 72.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -56.85 -49.53 75.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CZ ' HG21 ' A' ' 58' ' ' THR . 4.2 t80 -54.19 -33.12 57.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 35.5 t -72.92 -17.22 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -82.12 -35.14 28.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.64 ' HG3' HG23 ' A' ' 58' ' ' THR . 7.5 pt-20 -83.46 -37.3 23.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 57' ' ' GLU . 59.1 p -93.95 -71.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' N ' ' OG1' ' A' ' 58' ' ' THR . . . 125.04 2.08 7.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.66 HG13 ' HD2' ' A' ' 61' ' ' PRO . 75.4 t -73.85 142.84 80.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.66 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.0 140.44 25.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -48.36 -56.1 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.556 ' O ' HG22 ' A' ' 67' ' ' VAL . 5.3 tt0 -46.13 -35.03 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.573 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.4 t -76.31 -48.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.936 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.8 tm? -57.06 -21.89 35.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 10.7 ttpp -81.45 -69.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' GLN . 29.3 m -51.47 -45.83 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.3 t90 -39.14 -62.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.818 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.9 mt -43.07 -46.51 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . 10.7 t60 -67.93 -37.78 82.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' TRP . 2.2 m-80 -70.71 -17.58 62.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 3.5 m-80 -97.89 -68.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -63.21 99.2 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.86 165.75 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.577 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.2 p -99.1 -43.91 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.88 96.39 0.68 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.2 p -59.54 122.18 13.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.3 m -109.85 158.95 17.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -155.4 139.93 16.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 t -151.69 127.25 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.39 90.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -147.58 -58.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.69 156.49 29.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.2 -158.59 25.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.47 149.46 28.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p 56.3 167.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.31 -60.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -151.82 141.46 21.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.28 114.41 12.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.87 176.69 23.81 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.08 -121.59 0.03 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.72 78.32 0.22 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.3 tt -104.37 114.56 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 64.96 167.06 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 1.5 ttpt -79.38 84.22 5.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptt180 42.75 -165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -144.01 -69.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -133.46 140.39 47.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.593 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 p -118.88 157.16 28.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.585 ' N ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -160.26 56.57 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 7.6 m-85 -73.75 116.62 14.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -93.16 171.78 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.74 -44.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 3.4 tt0 -60.66 -71.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.546 ' OE1' HG23 ' A' ' 60' ' ' VAL . 11.5 mm-40 -47.52 -47.98 27.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -64.01 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.89 -40.24 56.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' CD ' HG22 ' A' ' 58' ' ' THR . 0.0 OUTLIER -56.05 -45.97 79.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.534 ' CE ' HG21 ' A' ' 60' ' ' VAL . 2.7 mtt -70.47 -46.63 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -44.47 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.07 -33.87 76.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' CD2' HD11 ' A' ' 65' ' ' LEU . 31.4 tp -71.68 -50.64 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.861 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.78 -42.89 72.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -74.54 -8.06 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -98.2 -49.66 4.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 42' ' ' ARG . 24.9 pt -84.88 -32.53 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 110.04 21.8 6.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.861 ' CD2' ' HB1' ' A' ' 36' ' ' ALA . 22.0 m95 69.83 17.55 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -123.44 151.06 43.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 66' ' ' LYS . 7.2 mt -118.49 145.63 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -157.33 172.07 19.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -63.32 -15.36 57.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -87.69 -36.44 17.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' VAL . 10.6 m-20 -81.6 -20.18 40.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -38.98 -61.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -43.24 -42.66 4.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -75.34 -38.19 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CD1' HG12 ' A' ' 43' ' ' ILE . 3.1 mm -63.2 -57.2 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -62.44 -31.56 72.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 10.8 tpt180 -73.87 -48.73 28.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.764 ' CZ ' HG21 ' A' ' 58' ' ' THR . 9.0 t80 -51.69 -38.32 54.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 49.5 t -62.76 -16.87 59.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.325 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.822 ' HG3' HG23 ' A' ' 58' ' ' THR . 6.6 pt-20 -88.08 -24.72 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.822 HG23 ' HG3' ' A' ' 57' ' ' GLU . 36.0 p -111.66 -71.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.64 -1.2 6.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.723 HG13 ' HD2' ' A' ' 61' ' ' PRO . 67.5 t -74.05 143.42 80.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.723 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 138.38 22.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -47.95 49.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 1.9 tt0 -54.05 -28.07 36.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.569 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.1 t -83.31 -49.5 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 tm? -53.38 -27.57 24.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HA ' HD11 ' A' ' 43' ' ' ILE . 21.7 ttmt -72.17 -72.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 71' ' ' ASN . 21.0 m -51.09 -43.81 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.467 ' CZ2' ' HB2' ' A' ' 32' ' ' MET . 80.9 t90 -38.5 -61.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 41' ' ' TRP . 5.5 mt -46.36 -47.51 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' VAL . 7.6 t60 -66.69 -28.96 68.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.5 m-80 -81.21 -15.19 56.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -102.42 -72.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -55.93 133.09 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.53 -70.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.598 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.7 t 74.46 141.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.89 142.39 22.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.44 15.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.524 1.802 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.4 p -115.03 -60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -77.46 174.57 10.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.15 -58.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 p -92.28 -58.52 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.89 111.17 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -50.81 -58.53 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.1 m -116.71 144.21 44.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.78 125.81 1.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -120.45 134.79 55.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.775 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -95.11 -58.57 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.32 113.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.58 137.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.243 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.54 160.66 4.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.31 115.13 0.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.122 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.43 -67.78 0.43 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.42 173.36 15.72 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -119.85 117.63 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -139.35 139.65 37.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 154.54 39.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -57.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -135.13 -64.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -177.03 158.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 p -112.63 157.69 20.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 70.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 6.8 m-85 -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -82.98 165.12 19.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -35.01 -37.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' THR . 5.4 tt0 -68.93 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -53.02 -44.5 67.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -54.51 -58.36 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -62.24 -43.07 99.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -48.02 -54.74 11.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 76.8 mtm -64.51 -45.52 86.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -42.87 66.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.32 -36.18 82.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 39' ' ' ILE . 27.8 tp -69.48 -51.22 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.796 ' HB1' ' CD2' ' A' ' 41' ' ' TRP . . . -54.16 -44.37 71.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.03 -7.65 50.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.53 -50.01 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.957 HD12 ' O ' ' A' ' 42' ' ' ARG . 42.1 pt -82.34 -32.65 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 107.0 33.07 3.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.881 ' HA ' HD22 ' A' ' 69' ' ' LEU . 14.2 m95 54.03 43.51 30.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.957 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -143.83 150.22 38.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.24 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 66' ' ' LYS . 2.4 mp -125.31 133.45 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -149.66 173.4 13.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -16.26 58.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -81.49 -56.42 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.167 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' VAL . 4.3 m-20 -69.66 -13.58 62.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.01 -46.46 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 7.4 tt0 -57.13 -47.11 81.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ASP . 3.5 t -69.74 -38.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.21 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -59.66 -24.72 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' CB ' ' O ' ' A' ' 49' ' ' GLU . 37.7 tpt85 -81.33 -35.46 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CZ ' HG21 ' A' ' 58' ' ' THR . 73.2 t80 -65.07 -29.06 69.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 47.8 t -75.74 -8.41 56.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -91.56 -21.81 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 58' ' ' THR . 12.4 pt-20 -99.44 -43.2 6.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 57' ' ' GLU . 67.8 p -91.63 -56.63 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.69 -0.89 27.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 61' ' ' PRO . 73.8 t -73.75 140.64 78.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.61 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 141.97 27.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.53 1.805 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -53.3 -48.49 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -52.58 -31.16 34.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.598 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 1.9 t -76.05 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.849 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.1 tm? -53.05 -33.73 53.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' ILE . 6.6 tttp -58.74 -72.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ASN . 59.2 t -58.26 -35.45 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.5 t90 -42.1 -55.66 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 41' ' ' TRP . 3.8 mt -53.34 -58.71 6.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -52.13 -27.65 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.599 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.8 m-20 -78.79 -24.68 44.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' LEU . 11.5 m-80 -116.43 -87.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.556 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 2.7 mtpt 41.4 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 117.14 30.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 p -167.23 146.96 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.74 156.92 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -47.08 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.5 p -74.0 156.65 37.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.47 -47.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -68.1 161.9 25.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t 55.87 80.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.54 62.41 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.563 1.164 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.2 108.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m 56.77 107.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.39 166.19 15.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.78 87.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.3 m -159.22 146.73 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.2 82.4 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.08 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 53.11 84.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.59 168.98 15.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.55 112.28 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.35 143.1 46.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.23 74.32 2.51 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -118.09 115.42 48.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -100.34 106.94 18.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 177.36 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.7 98.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -70.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.564 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -175.53 86.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 23.4 p -94.21 157.62 15.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.2 68.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.544 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 18.7 m-85 -73.42 116.43 13.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -87.7 169.06 12.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.69 -41.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 31' ' ' ARG . 4.1 tt0 -61.46 -68.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.513 ' OE1' HG23 ' A' ' 60' ' ' VAL . 8.9 mm-40 -51.92 -45.33 64.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -64.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.63 -44.61 73.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 6.8 mmp_? -50.4 -52.26 39.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.614 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 29.3 mtm -66.85 -41.21 87.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -45.67 93.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.14 -28.99 69.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 7.0 tp -78.83 -50.81 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.744 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -61.54 -12.45 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -93.75 -10.93 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.75 ' HG3' HG23 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -106.28 -21.7 13.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' O ' ' A' ' 42' ' ' ARG . 34.0 pt -105.45 -30.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.69 27.99 6.86 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.654 ' CG ' ' HB1' ' A' ' 36' ' ' ALA . 14.2 m95 60.01 40.34 18.87 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 1.036 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -141.25 149.46 41.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 66' ' ' LYS . 13.7 mt -112.96 137.85 44.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -147.0 179.56 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -80.06 1.0 29.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -100.33 -38.9 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' VAL . 38.6 m-20 -82.69 -10.17 59.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.33 -44.21 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -40.28 85.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' ASP . 4.8 t -76.53 -42.4 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.445 HG21 ' HD2' ' A' ' 62' ' ' ARG . 2.7 mm -56.39 -54.73 24.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -49.93 69.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -56.27 -41.94 76.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.711 ' CZ ' HG21 ' A' ' 58' ' ' THR . 28.4 t80 -57.91 -41.89 83.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.47 -15.04 56.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' CD ' ' C ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -85.96 -34.72 20.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.777 ' HG3' HG23 ' A' ' 58' ' ' THR . 16.1 pt-20 -85.21 -33.19 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.777 HG23 ' HG3' ' A' ' 57' ' ' GLU . 58.0 p -100.36 -72.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.83 0.01 7.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 61' ' ' PRO . 79.8 t -73.83 143.09 80.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.769 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.96 140.2 25.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HD2' HG21 ' A' ' 51' ' ' ILE . 12.4 ttp85 -49.31 -53.52 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.85 -31.87 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.57 ' CG2' ' HG2' ' A' ' 61' ' ' PRO . 2.3 t -79.66 -47.62 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.953 ' O ' HD13 ' A' ' 65' ' ' LEU . 2.5 tm? -56.26 -21.94 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.67 ' HA ' HD11 ' A' ' 43' ' ' ILE . 6.0 ttpp -78.46 -71.3 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' HIS . 25.4 m -52.14 -44.94 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 84.8 t90 -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 108.056 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.744 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 6.6 mt -42.65 -47.69 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' VAL . 11.7 t60 -66.52 -41.67 88.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 87.8 m-20 -67.78 -10.97 57.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' HIS . 2.9 m-80 -105.83 -78.55 0.57 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -48.24 96.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' ASN . 7.2 t60 -112.62 -68.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.613 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.7 t -71.58 -60.54 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.961 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.05 169.09 0.55 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.68 6.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -110.19 104.67 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.3 p -164.47 170.95 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.972 . . . . . . . . 0 0 . 1 stop_ save_