data_2ct6_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 2ct6 _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 ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 76' ' ' ILE . 30.4 mm -76.71 78.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 96.5 mtt180 -57.97 102.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -96.64 112.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.1 m-30 -76.61 129.39 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.1 pp -134.47 143.07 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -115.6 81.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' ALA . 5.7 t -38.51 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -120.98 86.09 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -114.87 -53.46 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.97 -58.23 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.86 101.34 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.28 -39.69 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.3 -47.57 13.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.439 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 56.6 mt -54.36 -44.72 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.72 5.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -52.07 13.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 95.6 mttt -50.98 -48.98 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 16.3 mt-30 -55.7 -35.69 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.0 mt-30 -69.33 -66.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -38.54 -31.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLN . 78.8 t -68.53 -74.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.5 m -52.79 -47.76 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 13.3 mmt-85 -44.48 -56.66 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -51.79 -50.55 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' LYS . 23.5 mt -56.15 -51.36 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.87 -50.52 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.85 66.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -101.75 7.3 41.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 49.86 41.53 22.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.556 HD12 ' CE2' ' A' ' 99' ' ' PHE . 88.6 mt -94.79 144.5 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.9 pt-20 -79.21 137.17 37.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -173.99 -179.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 11.3 pt-20 -150.93 142.53 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' CG ' HG13 ' A' ' 31' ' ' VAL . 1.4 mt-10 -92.99 90.47 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 55.5 t -72.08 94.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -64.01 91.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' A' ' 13' ' ' PHE . 44.5 pt -65.76 -29.02 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -47.61 82.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.13 -53.21 32.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -97.07 104.84 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.68 -51.24 61.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -44.22 -59.98 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' OE1' ' CG1' ' A' ' 44' ' ' VAL . 35.9 mm-40 -38.7 -50.8 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 ttp-105 -63.24 -55.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -47.57 -45.97 27.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 73.2 t90 -53.87 -58.01 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.413 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 12.4 tmm? -46.36 -50.39 16.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.5 m-30 -56.81 -15.38 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -99.64 -12.37 20.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.1 m-80 -118.83 44.17 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 75.5 t -155.18 115.66 2.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.65 8.95 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 28.1 mmtt -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 30.6 mttt -39.84 120.15 1.43 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 68.3 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 136.07 19.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 mt -114.6 158.47 40.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.0 23.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 160.22 96.87 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.984 0.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.2 mm-40 -140.23 73.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.489 ' CG2' HD21 ' A' ' 102' ' ' LEU . 2.7 mp -51.17 141.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 18.8 m-85 -148.38 110.72 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 34.4 t-20 -85.55 98.51 10.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.12 -91.7 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.78 13.86 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 127.66 53.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -66.15 105.35 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 m -70.79 -75.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.9 150.25 5.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -69.31 -178.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.592 ' OH ' ' CE2' ' A' ' 90' ' ' PHE . 29.9 t80 -49.08 -35.14 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -50.73 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.87 -60.19 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.4 t80 -45.21 -59.66 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 4.8 t80 -51.4 -50.33 59.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.68 -16.35 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -94.84 -44.93 7.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 6.5 mtmp? -47.06 -40.85 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.4 -33.14 70.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 92' ' ' SER . 23.3 t -100.9 -1.56 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.7 t-20 57.23 45.81 19.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 p -115.83 8.82 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' HG ' ' A' ' 92' ' ' SER . 2.1 t -41.22 -44.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.556 ' CE2' HD12 ' A' ' 39' ' ' ILE . 64.8 m-85 -56.86 -54.5 45.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -67.05 -31.81 72.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -61.8 -33.75 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.489 HD21 ' CG2' ' A' ' 76' ' ' ILE . 2.0 mt -89.6 -22.03 22.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.51 33.56 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.281 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 35.0 mm -77.23 82.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 48.1 mtm180 -61.47 95.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.0 t -88.93 108.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' A' ' 46' ' ' ILE . 3.7 m-30 -76.53 125.1 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.5 150.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.89 87.88 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.8 t -37.93 -82.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' SER . 48.6 p -111.13 -49.37 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -63.16 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.43 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.2 -34.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.52 -47.97 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.4 mt -54.66 -53.01 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -43.33 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -39.83 -47.26 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE2' ' CE2' ' A' ' 86' ' ' TYR . 89.8 mttt -63.51 -52.82 59.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -52.24 -28.32 18.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 30' ' ' VAL . 1.9 mm100 -79.67 -60.1 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.2 t0 -40.17 -30.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 28' ' ' GLN . 75.5 t -67.0 -89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.28 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 mmt180 -37.63 -55.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 23.3 t80 -57.33 -45.91 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.51 HD11 ' CG ' ' A' ' 41' ' ' PHE . 10.1 mt -62.22 -50.6 71.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 53.3 mm-40 -58.68 -49.69 76.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -23.84 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -102.01 5.76 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 51.01 47.64 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 99' ' ' PHE . 96.8 mt -98.9 149.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.58 136.98 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CG ' HD11 ' A' ' 34' ' ' LEU . 36.0 p90 -174.54 -176.64 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 9.3 pt-20 -154.43 141.26 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 88.38 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 41.1 t -70.09 91.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 48' ' ' MET . 19.3 t0 -62.45 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' A' ' 13' ' ' PHE . 14.9 pt -60.73 -20.99 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -48.44 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.6 mmt -71.41 -57.64 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 m -86.53 103.29 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.11 -55.26 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -41.05 -58.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -41.33 -50.18 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' NE ' HD12 ' A' ' 46' ' ' ILE . 34.3 ttt180 -61.62 -56.8 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -46.23 -46.78 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 88.3 t90 -51.77 -56.46 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -48.39 -51.54 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.5 m-30 -55.64 -15.68 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.07 -17.01 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.612 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.1 m-80 -112.37 42.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 71.3 t -155.27 115.32 2.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.62 22.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.81 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.51 -10.27 59.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -110.68 -26.5 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -40.25 118.77 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.32 14.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -111.04 158.76 34.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 169.64 22.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.93 161.78 94.13 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.023 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -140.85 79.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 102' ' ' LEU . 3.4 mp -51.84 135.9 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 11.4 m-85 -147.17 107.46 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -80.56 89.94 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 77.56 -91.76 1.07 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -137.56 13.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 119.01 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -59.56 111.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.0 m -84.87 -64.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.7 162.41 11.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -83.02 179.6 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.53 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 29.1 t80 -41.72 -45.16 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.17 -57.48 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 88.6 t80 -51.25 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -47.43 -54.82 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -45.35 34.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -73.51 -23.51 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -63.99 -46.61 83.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.68 -27.49 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 -0.74 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 55.97 55.92 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.4 p -125.81 2.34 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.479 HG23 ' CE1' ' A' ' 89' ' ' PHE . 2.8 t -37.68 -54.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 39' ' ' ILE . 48.0 m-85 -48.28 -52.19 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -44.53 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.4 t80 -47.69 -37.22 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -83.59 -27.21 29.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.93 32.4 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 32.2 mm -76.47 79.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 97.7 mtt180 -59.27 96.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.0 t -91.54 116.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -82.36 131.24 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -138.92 149.27 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.38 89.4 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -40.14 -29.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.5 m -104.3 73.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.8 p -123.24 88.69 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.51 -29.89 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -77.58 94.83 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.32 -44.44 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.89 -46.46 10.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 65.3 mt -56.85 -51.59 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.0 -56.92 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -40.34 -49.9 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -57.66 -54.52 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 10.9 mt-30 -44.05 -39.11 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' ASP . 6.3 mt-30 -68.58 -65.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -36.71 -35.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' GLN . 72.8 t -63.8 -88.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -40.11 -53.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.2 mmt180 -37.37 -59.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -56.53 -46.86 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 41' ' ' PHE . 14.3 mt -59.01 -49.66 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.5 mm-40 -60.71 -49.69 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' CB ' HG13 ' A' ' 39' ' ' ILE . 22.9 m-80 -104.83 14.67 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 42.49 49.89 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.329 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' A' ' 99' ' ' PHE . 64.0 mt -100.04 146.36 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.5 pt-20 -81.41 135.74 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CG ' HD11 ' A' ' 34' ' ' LEU . 38.6 p90 -173.52 179.09 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' VAL . 5.9 pt-20 -149.62 143.66 25.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.63 90.86 7.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 59.0 t -71.11 85.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -58.38 96.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' ILE . 29.9 pt -69.02 -34.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -50.78 72.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.42 -54.22 43.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 m -99.4 114.79 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.98 -57.85 10.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -60.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -38.45 -53.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -58.64 -52.73 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -50.04 -44.23 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.8 t90 -54.34 -59.83 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 107.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.51 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 tmm? -46.07 -51.12 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.44 -16.25 2.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -100.15 -15.81 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.671 ' N ' HD21 ' A' ' 59' ' ' ASN . 0.9 OUTLIER -112.98 39.21 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 82' ' ' TYR . 87.5 t -156.7 115.67 2.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.35 8.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.84 -31.2 70.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.6 mmtt -88.53 -29.58 19.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.45 123.85 1.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.95 158.42 31.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.5 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.98 168.5 24.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 167.51 80.25 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.028 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -144.8 73.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CG2' HD22 ' A' ' 102' ' ' LEU . 3.0 mp -50.11 137.73 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.401 ' CE1' ' HD1' ' A' ' 82' ' ' TYR . 10.1 m-85 -145.8 106.83 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -77.17 83.94 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.6 -93.24 1.56 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.24 16.96 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.31 134.29 53.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CE1' HG23 ' A' ' 60' ' ' VAL . 7.4 t80 -69.57 120.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.1 m -88.89 -70.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.41 149.17 5.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.05 178.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 19.6 t80 -47.59 -43.65 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.89 -55.72 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.4 m -49.54 -57.82 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.1 t80 -46.27 -61.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.07 -55.75 16.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.08 -45.08 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -30.37 65.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -57.04 -49.69 75.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -57.66 -27.77 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.43 6.77 45.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 47.12 55.35 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 98' ' ' VAL . 3.2 p -127.52 3.33 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 102' ' ' LEU . 4.4 t -36.83 -50.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 39' ' ' ILE . 31.9 m-85 -52.66 -51.5 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 t -68.74 -38.65 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.2 t80 -54.58 -37.91 66.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.475 HD22 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -84.82 -25.31 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.0 38.66 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 78' ' ' ASN . 31.9 mm -78.07 85.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 31.2 mtm105 -65.13 87.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -86.95 118.18 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 4.8 m-85 -77.65 135.68 38.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.3 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -122.54 87.47 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -38.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' OG ' ' A' ' 16' ' ' SER . 1.2 t -74.65 83.68 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -72.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.71 -30.69 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.92 93.46 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 p -49.17 -36.06 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.5 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 61.1 mt -53.83 -43.54 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -59.64 -53.23 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -50.76 28.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 72.6 mttt -53.37 -47.98 68.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 12.1 mt-30 -53.49 -36.42 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 30.2 mt-30 -68.35 -69.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -38.59 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' GLN . 74.1 t -68.24 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.1 m -56.71 -49.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mmt-85 -40.41 -53.55 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.43 -51.22 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 21.1 mt -56.37 -52.7 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -55.93 -51.39 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.42 -21.53 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -101.78 4.06 40.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' LEU . 42.1 mmtt 55.15 32.4 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 99' ' ' PHE . 61.4 mt -83.13 146.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -81.99 136.48 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -175.24 177.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.38 138.78 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.16 80.03 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.41 97.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.4 t0 -68.46 107.12 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.2 pt -85.79 -36.56 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -31.45 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.437 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 13.7 mmt -87.2 -49.71 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -99.76 95.16 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.0 -51.43 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -57.47 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -44.24 -46.39 8.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -58.63 -64.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -43.95 -56.07 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 42.4 t90 -47.68 -46.07 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 31.7 ttp -58.45 -44.14 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.11 -8.93 26.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -102.83 -10.93 18.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -117.36 39.3 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 77.2 t -155.88 115.88 2.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.94 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.36 9.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.72 -9.25 58.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.3 mmmt -111.44 -27.48 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.5 mttt -39.24 117.77 1.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -117.81 158.51 45.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.0 Cg_endo -75.08 169.0 23.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 158.76 98.8 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.996 0.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -140.7 84.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HG23 ' CD2' ' A' ' 102' ' ' LEU . 3.2 mp -57.8 140.92 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.7 m-85 -153.56 108.55 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.4 t-20 -82.43 95.64 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 76.45 -91.68 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -138.15 14.05 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 130.98 54.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.55 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.8 t80 -68.04 118.78 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.63 -68.41 0.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.47 155.79 7.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.64 -177.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 0.821 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 2.5 t80 -52.09 -39.1 59.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -57.31 -52.69 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.561 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 73.6 t80 -46.93 -60.31 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.29 -52.64 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.65 -50.57 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 1.2 m -71.29 -25.14 62.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 3.7 ttpp -62.37 -48.37 80.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -59.58 -27.81 66.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -100.9 7.17 43.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 49.43 57.56 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 53.6 p -128.02 3.15 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' THR . 4.2 t -37.54 -53.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 39' ' ' ILE . 49.6 m-85 -48.89 -51.37 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -43.4 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -49.28 -39.88 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.94 -21.34 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.87 49.51 1.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 99' ' ' PHE . 71.7 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.8 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 76' ' ' ILE . 33.6 mm -65.85 74.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' VAL . 91.9 mtt180 -51.8 103.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -98.47 112.38 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CD2' ' CG2' ' A' ' 46' ' ' ILE . 3.3 m-85 -77.78 132.81 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.89 149.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -125.86 77.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -65.66 73.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.4 t -176.87 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 27.6 t -39.42 145.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.43 46.15 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -138.87 84.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.46 -32.32 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.07 66.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 96.1 mt -68.63 -37.45 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -56.99 -63.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.66 -53.92 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 45.2 mttt -51.86 -54.02 33.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 13.6 mt-30 -47.61 -42.85 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -67.4 -63.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.59 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLN . 47.3 t -73.09 -88.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -38.97 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.5 mmt180 -38.16 -54.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -59.87 -45.14 93.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.531 HD11 ' CG ' ' A' ' 41' ' ' PHE . 8.4 mt -61.86 -46.22 90.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.9 mm-40 -62.77 -48.81 77.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.85 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 48.5 m-80 -104.81 11.35 33.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.3 mmtt 39.13 53.08 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.39 155.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 127.47 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.3 p90 -178.91 178.75 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 4.2 pt-20 -159.43 154.06 24.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.46 79.14 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.56 93.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -62.36 110.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' CD2' ' A' ' 13' ' ' PHE . 4.7 pt -92.19 -21.31 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -36.76 81.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmt -89.85 -47.88 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -92.31 90.72 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.76 -47.87 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.56 -56.29 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -48.41 -49.96 32.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -46.42 -59.22 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -44.86 -49.84 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.419 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 24.2 ttp -57.01 -41.88 79.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.3 m-30 -71.24 -3.97 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -106.24 -10.87 16.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.534 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.5 m-80 -118.46 35.0 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 93.8 t -153.24 115.64 2.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.59 16.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.34 7.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.39 -15.79 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.9 mmtt -102.05 -32.14 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 26.6 mttt -39.47 124.4 1.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.06 123.8 8.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -105.81 158.23 32.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 158.87 98.69 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.951 -2.521 . . . . 0.0 111.003 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.24 82.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.5 mp -59.04 135.86 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -148.28 110.59 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.2 t-20 -81.02 84.33 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.99 -93.13 1.67 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 7.7 t0 -133.12 11.13 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -110.02 127.13 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.489 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.8 t80 -67.15 126.7 30.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.35 -65.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.42 155.68 8.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 58.1 p30 -78.49 176.77 9.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 16.0 t80 -44.85 -30.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.426 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 2.0 t0 -61.33 -45.61 93.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -66.3 -52.0 51.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 79.1 t80 -47.04 -58.77 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -55.02 -52.24 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.86 -51.62 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -70.69 -25.33 62.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.85 -45.62 88.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.4 -29.94 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -101.67 6.48 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 52.32 59.42 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 21.4 p -127.98 4.37 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.6 t -38.19 -50.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LEU . 46.8 m-85 -52.21 -53.82 38.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -37.83 85.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -56.71 -33.57 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -95.92 8.95 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.74 41.86 81.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' PHE . 14.3 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' ' HA ' ' A' ' 41' ' ' PHE . 29.9 mm -70.78 74.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 92.1 mtt180 -48.09 103.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.45 98.83 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 136.4 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -141.49 152.0 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -124.7 85.87 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' SER . 1.4 t -37.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -62.3 81.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' SER . 19.5 t -112.31 -60.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.82 -63.03 0.62 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.44 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.93 -30.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.52 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.32 -48.52 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -63.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -45.21 -55.65 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 78.2 mttt -51.66 -52.76 45.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -49.53 -36.17 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 14.4 mt-30 -71.27 -68.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.9 t0 -38.65 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' GLN . 51.4 t -65.01 -65.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.2 m -65.03 -49.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 10.9 mmt-85 -39.32 -50.99 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 98' ' ' VAL . 31.9 t80 -59.17 -50.54 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LYS . 16.1 mt -57.82 -47.49 82.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.8 mm-40 -59.56 -48.82 80.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.57 -22.76 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 31.8 m-80 -102.46 9.28 39.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER 44.8 49.7 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.521 HD12 ' CE1' ' A' ' 99' ' ' PHE . 80.1 mt -102.11 145.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 2.0 mp0 -71.73 141.33 49.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HA ' ' N ' ' A' ' 10' ' ' ILE . 8.3 p90 179.06 172.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.5 pt-20 -150.26 139.25 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -85.86 79.78 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.24 93.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -64.68 95.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 8.3 pt -68.08 -34.74 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -46.43 85.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 mmt -70.15 -55.08 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 103.33 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.34 -56.66 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -40.62 -62.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 52' ' ' GLN . 24.6 mm-40 -38.0 -55.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 11.6 ttp-105 -55.29 -53.11 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -49.61 -55.1 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 58.4 t90 -51.61 -49.32 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.5 ttp -54.35 -44.29 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.6 m-30 -66.42 -8.67 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -103.59 -9.99 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.4 m-80 -118.23 36.72 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 69.1 t -151.83 115.71 3.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -29.08 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.73 -19.0 64.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.8 mmtt -101.62 -30.59 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.6 mttt -40.33 120.51 1.6 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 5.9 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 122.91 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.3 158.56 31.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.96 169.36 22.8 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.03 158.43 98.98 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.96 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.51 88.42 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 77' ' ' PHE . 3.6 mp -63.08 138.94 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.8 m-85 -149.99 110.02 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 27.5 t-20 -85.64 99.56 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.36 -94.2 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -135.31 11.69 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.51 126.87 52.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 5.9 t80 -67.74 117.1 9.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.0 -66.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.05 157.09 8.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 15.9 p-10 -71.37 -176.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 t80 -52.48 -38.35 59.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -50.9 65.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.49 -52.51 65.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.8 t80 -47.76 -59.8 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 3.2 t80 -53.44 -53.69 47.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.94 -50.94 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.5 OUTLIER -71.17 -25.45 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -63.58 -43.11 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.04 -32.14 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.23 7.2 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 53.0 60.89 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -126.43 1.5 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 33' ' ' PHE . 2.7 t -36.74 -55.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.521 ' CE1' HD12 ' A' ' 39' ' ' ILE . 62.4 m-85 -48.58 -51.3 28.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -69.14 -39.82 78.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -55.48 -36.72 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt -81.66 -23.51 36.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.08 34.28 2.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PHE . 7.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 76' ' ' ILE . 37.9 mm -75.06 78.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 94.1 mtt180 -58.16 101.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -98.78 117.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -80.58 132.12 35.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.1 pp -135.54 147.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -118.72 83.62 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.51 -30.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -112.77 116.23 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.92 115.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.01 -68.28 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -42.98 105.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.36 -34.32 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.63 -43.83 26.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 86.6 mt -50.74 -54.53 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.23 -64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.29 -54.92 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 43.1 mttt -50.24 -56.59 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 14' ' ' ILE . 23.7 mt-30 -44.4 -41.24 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.3 mt-30 -69.52 -61.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -38.7 -31.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' GLN . 72.1 t -71.18 -89.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.01 -50.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 29.2 mmt-85 -37.53 -54.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 17.5 t80 -59.0 -48.36 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' A' ' 41' ' ' PHE . 12.2 mt -57.86 -49.87 75.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 6.7 mm-40 -59.97 -48.02 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.34 -21.76 66.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 13.1 m-80 -100.98 -0.19 37.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 57.64 36.89 27.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.566 HD13 ' CE2' ' A' ' 99' ' ' PHE . 74.7 mt -88.98 151.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.94 136.3 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 34' ' ' LEU . 34.5 p90 -172.89 179.24 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 7.7 pt-20 -149.67 141.82 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.85 90.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 60.2 t -68.96 89.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.88 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' A' ' 13' ' ' PHE . 11.6 pt -80.32 -16.64 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -41.36 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mmt -77.67 -51.92 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -94.64 118.7 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.33 -53.04 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -39.65 -62.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.405 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm-40 -38.88 -55.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -54.15 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -49.71 -45.63 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 69.7 t90 -53.33 -58.21 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.049 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -46.09 -51.18 14.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -56.63 -16.2 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -99.3 -13.33 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -119.34 47.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 58.9 t -158.0 116.64 1.85 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.75 21.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.59 9.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.39 -23.53 63.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.1 mmtm -94.94 -32.17 13.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -39.39 119.51 1.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 134.36 17.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -117.49 158.76 44.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.522 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.08 169.47 22.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.94 162.82 92.06 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.022 -0.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 20.8 mm-40 -141.02 71.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG23 ' CG2' ' A' ' 10' ' ' ILE . 2.7 mp -49.61 139.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 15.5 m-85 -147.88 109.6 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.8 t-20 -81.13 86.73 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 57.32 54.75 34.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 m-20 85.83 -38.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.05 109.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -59.67 108.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.0 m -82.57 -70.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.38 150.84 5.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -67.82 174.86 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 27.2 t80 -38.81 -45.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.43 -56.47 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 70.1 m -50.56 -55.69 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 77.1 t80 -49.65 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 93' ' ' LYS . 22.0 t80 -45.52 -58.49 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -42.35 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -25.94 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.07 -51.13 70.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -55.32 -27.57 47.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -100.01 9.29 43.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 43.3 50.72 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.3 p -120.84 2.51 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.502 HG21 ' CD1' ' A' ' 89' ' ' PHE . 2.9 t -36.37 -53.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 39' ' ' ILE . 69.3 m-85 -50.5 -52.34 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -38.35 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.9 t80 -58.3 -33.41 69.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.4 mt -90.31 -26.63 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 42.44 2.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.168 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 31.1 mm -74.94 77.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 95.5 mtt180 -57.33 93.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 10' ' ' ILE . 73.3 t -92.74 116.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -79.92 134.34 36.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.83 154.0 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -129.29 91.41 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.48 -57.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.3 89.59 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -0.48 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.08 -62.61 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -60.95 102.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.57 -17.41 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.78 -41.47 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 73' ' ' PRO . 87.4 mt -66.72 -34.59 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -69.57 -31.96 70.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -50.31 63.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 53.9 mttt -58.01 -44.61 87.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -47.62 -38.03 13.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.5 mt-30 -70.74 -53.07 16.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLN . 3.5 t0 -40.25 -34.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 71.5 t -68.03 -87.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -37.86 -54.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 12.1 mmt180 -37.72 -58.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CE1' HG13 ' A' ' 98' ' ' VAL . 21.3 t80 -55.62 -48.13 75.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 41' ' ' PHE . 13.2 mt -58.57 -51.31 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 7.9 mm-40 -58.51 -49.15 78.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.6 -21.9 66.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -100.65 -0.85 36.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' LEU . 2.2 mmmt 59.59 33.56 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.563 HD12 ' CZ ' ' A' ' 99' ' ' PHE . 70.6 mt -85.87 150.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -85.42 136.07 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' CG ' HD12 ' A' ' 34' ' ' LEU . 38.6 p90 -171.31 -177.01 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 8.8 pt-20 -152.86 140.41 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.38 90.19 7.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 89.3 t -70.59 88.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.57 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.409 HG13 ' NE ' ' A' ' 53' ' ' ARG . 5.0 pt -70.1 -28.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -36.35 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mmt -89.48 -49.2 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 95.88 9.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.08 -42.56 72.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -57.1 -62.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLU . 28.5 mm-40 -38.15 -55.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' NH2' ' CB ' ' A' ' 15' ' ' ALA . 11.5 ttt180 -54.43 -52.75 60.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -52.66 -45.76 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 85.3 t90 -53.52 -57.45 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 14.0 tmm? -46.02 -53.23 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -53.28 -17.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -97.69 -20.64 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.3 m-80 -110.46 43.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 69.8 t -155.65 115.51 2.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.52 8.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -66.95 -34.59 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.2 mmtt -82.86 -35.38 26.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 24.5 mttt -40.42 134.54 1.54 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 p-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.64 30.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.7 158.57 59.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.02 168.68 24.28 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.97 159.6 97.78 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.033 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 39.3 mm-40 -136.29 75.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 102' ' ' LEU . 2.5 mp -50.64 136.02 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.1 m-85 -147.23 108.47 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 32.9 t-20 -85.46 100.11 11.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.28 -90.19 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -139.53 14.75 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 122.05 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.8 t80 -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.2 m -76.07 -70.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.53 163.06 14.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 54.3 p30 -78.27 179.81 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 42.2 t80 -51.4 -30.84 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -59.58 -46.98 87.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -61.51 -57.69 11.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 90.3 t80 -43.76 -55.41 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.2 -47.24 78.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.1 -13.79 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' ASN . 2.1 m -98.69 -38.25 9.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 7.2 mtmp? -52.92 -37.56 60.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.68 -37.02 72.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.53 -1.56 32.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 t-20 60.69 39.02 18.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 98' ' ' VAL . 9.0 p -101.63 4.79 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 33' ' ' PHE . 1.9 t -38.31 -50.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 39' ' ' ILE . 23.3 m-85 -51.59 -54.42 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -40.75 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -52.45 -35.67 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 1.2 mt -87.31 -24.38 24.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.07 32.48 3.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 0.0 109.329 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.1 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' A' ' 76' ' ' ILE . 39.9 mm -66.38 76.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.13 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' VAL . 94.5 t -97.9 123.35 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CD2' ' CG2' ' A' ' 46' ' ' ILE . 3.2 m-85 -87.97 136.88 32.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.96 142.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . . . -120.45 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -47.85 -37.51 14.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.32 -33.43 73.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.3 p -39.08 120.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.21 -63.07 4.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -38.07 116.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.03 -35.82 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.71 -37.58 3.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.11 -52.42 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.01 -66.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.8 -55.35 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 58.4 mttt -53.14 -62.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -40.68 -37.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.9 mt-30 -72.16 -67.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 6.0 t0 -38.71 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' GLN . 20.5 t -65.56 -66.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.2 m -65.94 -49.66 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 28.9 mmt-85 -38.31 -50.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -61.68 -46.24 90.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 41' ' ' PHE . 8.3 mt -63.04 -47.31 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 66.7 mm-40 -59.96 -50.02 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.81 68.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' LYS . 45.2 m-80 -104.62 12.93 32.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 6.7 mmmt 39.13 50.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CG2' HD23 ' A' ' 34' ' ' LEU . 72.6 mt -94.55 150.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.29 129.28 38.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CG ' HD12 ' A' ' 34' ' ' LEU . 3.6 p90 -178.73 173.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -154.3 143.59 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -89.1 84.24 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG12 ' CZ ' ' A' ' 13' ' ' PHE . 77.8 t -65.37 84.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -55.37 101.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.524 ' CG2' ' CD2' ' A' ' 13' ' ' PHE . 14.3 pt -83.07 -20.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.58 -30.12 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 mmt -91.65 -41.53 10.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -103.08 106.67 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -49.82 75.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -42.95 -61.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -43.05 -52.26 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -48.54 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -42.03 -53.14 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 43.8 t90 -49.48 -51.03 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ttp -54.7 -41.56 70.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.0 m-30 -70.82 -5.12 27.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -106.38 -13.19 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -115.69 39.88 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 72.0 t -154.43 115.72 2.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.37 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.69 -18.54 63.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.0 mmmt -101.07 -30.88 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.2 mttt -39.9 120.61 1.48 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.1 p30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.4 mt -107.7 158.23 33.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.536 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.99 169.55 22.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.536 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.06 159.47 97.91 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.967 0.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -140.42 85.37 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 10' ' ' ILE . 3.2 mp -61.64 143.46 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 12.0 m-85 -151.36 116.76 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -85.86 88.29 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 52.68 63.09 5.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.8 m-20 84.4 -43.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -53.07 124.61 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -74.81 115.03 13.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.1 m -86.37 -67.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.4 158.78 9.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -72.38 -175.93 1.72 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 39.2 t80 -52.29 -38.88 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -51.91 -51.28 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.4 m -58.29 -55.31 36.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 72.9 t80 -46.13 -59.15 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.95 -53.76 48.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -51.14 18.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m -71.37 -21.89 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -102.11 -16.97 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 95' ' ' SER . 3.4 t-20 75.8 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -120.96 3.94 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -37.17 -54.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 104' ' ' LEU . 13.4 m-85 -48.59 -50.56 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 t -70.34 -44.19 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -47.66 -37.61 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -85.34 -27.34 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.74 44.21 1.15 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PHE . 12.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' CD1' ' ND2' ' A' ' 78' ' ' ASN . 28.1 mm -74.81 77.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -57.02 106.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -103.75 109.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -76.93 132.1 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt -138.38 145.87 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.31 75.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 85.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 164.54 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -39.91 125.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.575 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -73.76 61.13 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' GLY . 61.2 m-85 -155.92 87.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -45.67 -38.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.9 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.7 mt -54.54 -56.38 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -42.89 -63.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -40.63 -57.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 50.8 mttt -56.23 -46.81 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -55.66 -33.48 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.3 mm100 -75.98 -61.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 10.5 t0 -39.61 -30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' GLN . 75.1 t -68.03 -89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -53.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 6.3 mmt180 -36.94 -64.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -49.44 -41.67 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 41' ' ' PHE . 9.4 mt -66.57 -52.22 47.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 58.8 mm-40 -56.98 -51.26 69.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.34 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 32.2 m-80 -104.81 13.21 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER 39.8 53.81 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.569 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 78.9 mt -97.86 154.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.11 132.35 41.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CG ' HD11 ' A' ' 34' ' ' LEU . 7.7 p90 -179.96 178.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.64 144.3 19.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.56 84.75 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 t -67.45 84.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -58.62 92.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 25.9 pt -65.14 -35.21 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -41.11 74.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.42 -56.39 8.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -101.24 118.51 37.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.48 -54.54 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -39.76 -60.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -38.66 -53.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 47.7 ttt180 -60.62 -56.71 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.04 -55.4 6.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 78.8 t90 -49.39 -50.28 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.5 ttp -51.73 -46.04 63.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.2 m-30 -66.36 -7.5 19.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -106.87 -5.75 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.83 38.02 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -151.24 115.29 3.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 171.77 17.67 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.76 7.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -67.99 -22.14 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtt -101.15 -29.84 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -40.08 120.38 1.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.02 146.13 32.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.16 158.49 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.532 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 158.55 98.93 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.982 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.55 87.89 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG22 ' CG2' ' A' ' 10' ' ' ILE . 3.2 mp -62.6 139.37 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -150.35 112.75 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 9.2 t-20 -80.16 85.29 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 48.5 69.55 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 4.4 t70 85.98 -44.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.791 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.79 128.3 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.1 t80 -81.52 105.56 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.463 ' CB ' HG23 ' A' ' 76' ' ' ILE . 74.3 m -76.08 -68.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.75 160.91 10.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -75.25 175.34 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 14.0 t80 -44.0 -40.66 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -52.91 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 58.6 m -57.59 -52.36 65.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 68.9 t80 -48.19 -59.94 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 33.6 t80 -53.37 -56.9 12.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -41.8 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ASN . 1.4 m -76.47 -26.08 55.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' PHE . 1.2 ttpp -60.63 -55.35 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.83 -24.6 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -94.87 -20.89 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 t30 75.3 36.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.9 p -113.33 6.48 17.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 2.8 t -37.29 -49.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 39' ' ' ILE . 28.6 m-85 -53.58 -51.38 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' THR . 2.0 m -69.53 -38.14 77.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -53.34 -39.08 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -84.07 -26.76 28.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.79 40.34 1.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD21 ' CD1' ' A' ' 10' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.346 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ARG . 5.6 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' A' ' 76' ' ' ILE . 32.2 mm -65.39 75.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' VAL . 94.6 mtt180 -55.06 108.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' VAL . 78.6 t -103.76 122.7 56.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.7 m-30 -85.31 134.2 34.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -136.52 141.48 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.09 74.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 22.0 t -38.3 -44.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.59 64.33 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.4 p -130.91 120.59 23.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.92 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 100.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -33.46 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.28 27.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mt -46.07 -56.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.94 -61.97 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.76 -49.56 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 62.5 mttt -55.51 -54.22 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -51.57 -40.08 59.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASP . 60.1 mt-30 -60.62 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.0 t0 -39.02 -35.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 72.4 t -71.19 -81.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.6 m -41.29 -49.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.478 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 9.9 mmt-85 -45.02 -56.48 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.9 -40.67 57.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 mt -69.43 -43.42 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.6 mm-40 -60.84 -47.79 84.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.26 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.3 m-80 -103.63 12.55 34.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.1 mmmt 39.65 44.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' CZ ' ' A' ' 99' ' ' PHE . 59.8 mt -86.72 150.46 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.37 128.6 36.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 34' ' ' LEU . 3.4 p90 -178.17 173.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -154.37 154.82 33.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -99.55 88.2 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 74.8 t -71.75 95.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -63.99 85.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 13' ' ' PHE . 47.5 pt -59.22 -28.51 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -46.6 84.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -64.66 -51.47 62.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.5 m -102.53 103.93 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.5 -50.04 60.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.89 -60.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -40.14 -51.92 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -56.24 22.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -45.88 -46.4 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 91.4 t90 -51.79 -58.56 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 107.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASN . 5.5 tmm? -44.66 -54.61 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -52.69 -19.08 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' TRP . 6.9 mttt -97.79 -21.39 16.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.648 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.72 44.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 59.8 t -155.29 116.37 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.42 18.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.48 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.6 -33.06 74.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtm -82.93 -33.33 26.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . 11.4 mttt -39.16 133.79 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.576 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.5 m-80 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 148.78 35.98 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.11 157.93 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.506 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 168.68 24.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 163.93 89.57 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.023 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 24.2 mm-40 -141.3 73.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -50.91 143.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 19.0 m-85 -147.69 111.84 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 25.1 t-20 -81.68 80.75 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 56.42 62.69 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 5.0 t70 86.21 -43.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.7 113.32 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.7 t80 -64.26 113.68 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.463 ' CB ' HG21 ' A' ' 76' ' ' ILE . 85.7 m -78.02 -70.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.27 154.88 7.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -65.69 176.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 15.4 t80 -46.81 -44.76 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.34 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.45 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m -50.19 -61.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 84.0 t80 -44.61 -55.7 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -56.42 -45.82 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.39 -13.54 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASN . 58.0 m -99.55 -25.2 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -66.41 -41.46 89.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -53.14 -39.54 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.68 -11.15 23.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.0 OUTLIER 70.39 43.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.1 p -105.49 4.03 30.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 97' ' ' THR . 1.5 t -37.38 -45.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.447 ' CZ ' HD12 ' A' ' 39' ' ' ILE . 38.6 m-85 -57.77 -53.26 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.7 t -67.82 -38.78 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.6 t80 -54.15 -32.2 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.483 ' CD2' ' CG2' ' A' ' 76' ' ' ILE . 3.7 mt -92.03 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.53 3.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.485 ' CG2' HG21 ' A' ' 76' ' ' ILE . 23.0 mm -75.19 75.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -55.33 104.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.39 117.71 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.3 m-30 -81.08 130.92 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.58 143.88 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.76 90.64 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 27.2 p -69.0 64.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 159.8 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -123.81 -52.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 -53.38 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -59.17 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.09 -34.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.11 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 80.1 mt -60.95 -44.84 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -58.4 7.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -54.94 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 mttt -48.1 -54.27 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.451 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 10.7 mt-30 -47.48 -37.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.6 mt-30 -70.98 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.1 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' GLN . 71.2 t -68.46 -88.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.15 -53.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.9 mmt-85 -38.27 -61.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' HG12 ' A' ' 98' ' ' VAL . 25.0 t80 -51.97 -40.74 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 41' ' ' PHE . 8.4 mt -66.97 -55.03 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 59.5 mm-40 -52.76 -53.6 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.47 47.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.3 m-80 -108.02 20.85 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 34.25 50.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 99' ' ' PHE . 36.8 mt -92.17 152.53 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 132.2 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CG ' HD12 ' A' ' 34' ' ' LEU . 9.9 p90 -179.27 177.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.09 149.05 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.39 88.65 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 97.4 t -73.24 89.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -58.91 98.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 13' ' ' PHE . 42.5 pt -74.08 -26.77 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.79 -42.51 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 m -95.79 87.06 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.62 -52.83 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -43.66 -51.39 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -54.67 -43.72 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.246 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -61.68 -64.06 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -42.99 -47.52 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -50.06 -55.16 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.13 -52.54 25.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 3.3 m-85 -55.31 -16.35 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -116.98 42.45 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 73.0 t -151.36 117.05 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.33 22.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.11 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.85 -18.76 62.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 13.0 mmtt -99.47 -32.5 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.2 mttt -40.35 119.13 1.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 137.75 22.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.3 mt -123.87 158.36 60.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.02 168.98 23.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 163.69 90.12 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.923 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 21.2 mm-40 -141.12 77.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.485 HG21 ' CG2' ' A' ' 10' ' ' ILE . 3.0 mp -54.43 139.12 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 21.2 m-85 -148.46 105.12 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -77.48 93.99 4.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.23 -89.71 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -140.19 15.39 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.63 123.79 49.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.0 t80 -63.83 110.67 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.8 m -79.04 -74.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.72 152.09 6.64 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -67.92 176.98 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 37.1 t80 -45.4 -44.11 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -43.71 -55.57 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.9 m -56.49 -58.71 6.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 87.8 t80 -40.99 -55.31 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.22 -43.61 97.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -17.85 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -99.05 -43.56 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.3 mtmp? -45.36 -46.77 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -41.97 -46.64 4.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -93.87 -18.22 22.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 95' ' ' SER . 4.0 t-20 81.78 52.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.4 p -113.09 5.36 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 33' ' ' PHE . 1.5 t -37.67 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 39' ' ' ILE . 83.7 m-85 -46.24 -53.96 9.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -46.46 73.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.8 t80 -47.01 -33.65 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 76' ' ' ILE . 1.1 mt -93.0 -25.78 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.49 41.41 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 2.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -75.61 78.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.22 102.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -98.44 104.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.2 m-85 -70.93 132.6 45.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pt -137.66 150.34 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.57 78.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -39.06 -31.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -114.41 86.92 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -122.45 -59.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.09 9.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.8 m-85 -88.77 83.77 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.65 -39.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.24 -46.23 65.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' PHE . 56.2 mt -63.28 -47.99 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -40.03 60.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 82.7 mttt -48.9 -52.87 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -39.62 -35.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.357 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.3 mt-30 -72.46 -69.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' GLN . 20.0 t0 -36.53 -33.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' GLN . 56.5 t -62.97 -66.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.2 m -64.73 -47.34 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 8.4 mmm180 -38.31 -53.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 22.0 t80 -57.9 -49.79 75.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 14.7 mt -59.91 -46.15 90.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 61.5 mm-40 -61.26 -47.49 85.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.33 -23.19 64.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 34.1 m-80 -102.02 7.54 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER 46.05 42.05 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.494 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 67.8 mt -90.98 148.07 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -72.46 136.84 46.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 6.4 p90 -179.53 172.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 13.1 pt-20 -150.08 141.81 23.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -89.01 86.53 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 73.4 t -69.15 93.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 48.2 t0 -64.78 96.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ILE . 4.2 pt -68.2 -34.3 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -44.96 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.426 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 14.7 mmt -72.68 -49.49 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.0 m -96.88 107.97 20.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -41.44 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -51.33 -67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -38.74 -58.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.74 -53.15 12.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -50.92 -57.69 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 36.4 t90 -49.26 -47.88 46.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.0 ttp -54.06 -41.79 68.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.7 m-30 -72.16 -3.06 21.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -106.35 -14.73 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -116.04 39.11 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 82' ' ' TYR . 70.8 t -150.78 115.87 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.07 8.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.0 -22.38 65.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -97.87 -31.58 12.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -40.14 125.45 1.68 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 11.2 p30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.05 145.64 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.46 158.45 61.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.537 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.58 22.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.98 159.11 98.49 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.012 -0.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -140.52 92.4 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -63.61 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 9.1 m-85 -155.23 104.31 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 33.2 t-20 -79.82 89.26 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 81' ' ' ARG . . . 63.38 72.48 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 55' ' ' TRP . 4.6 m-20 49.08 22.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 78' ' ' ASN . 1.6 ttt-85 -110.4 111.32 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.2 t80 -59.71 120.91 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.34 -59.55 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.62 158.72 9.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.4 -169.64 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 27.0 t80 -50.08 -42.51 50.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -50.63 -56.45 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -55.74 -53.25 58.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 69.4 t80 -45.92 -56.97 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -55.4 -54.32 45.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -46.29 -45.41 17.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -74.23 -28.39 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -59.9 -46.57 88.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.17 -29.09 67.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 t -100.57 6.09 44.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 49.87 55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 98' ' ' VAL . 11.9 p -125.83 3.71 7.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 89' ' ' PHE . 2.4 t -36.02 -56.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 39.1 m-85 -48.31 -49.75 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -69.93 -41.54 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.0 OUTLIER -52.77 -36.72 58.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.441 ' CD2' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -86.07 -29.48 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.56 42.57 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 39' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 76' ' ' ILE . 33.1 mm -70.95 75.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -53.16 104.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLU . 99.2 t -97.2 118.04 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 3.7 m-85 -80.38 133.93 35.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.1 pt -137.99 147.91 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.71 82.09 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.65 -43.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.48 98.97 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 19' ' ' GLY . 85.3 p -129.7 -71.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . 143.76 -28.84 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 12.7 m-85 -100.87 91.42 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.02 -32.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.27 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' PHE . 63.6 mt -60.27 -45.52 96.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -50.59 -59.01 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -59.37 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 61.7 mttt -48.82 -57.83 5.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 14' ' ' ILE . 24.2 mt-30 -44.97 -39.64 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ASP . 1.8 mt-30 -69.82 -67.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -37.39 -34.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 71.9 t -63.26 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.12 -51.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -39.3 -54.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -58.93 -37.88 77.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD13 ' CG ' ' A' ' 41' ' ' PHE . 10.1 mt -70.65 -45.98 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 52.3 mm-40 -61.5 -50.06 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.37 67.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.3 m-80 -104.87 11.58 33.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 4.8 mmtt 39.22 52.23 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 64.8 mt -94.59 155.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.14 128.03 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CG ' HD13 ' A' ' 34' ' ' LEU . 3.9 p90 -178.5 176.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 7.0 pt-20 -158.2 147.64 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.48 97.39 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 62.1 t -83.2 101.84 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.08 103.42 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.33 -14.1 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.39 -46.61 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 mmt -74.79 -49.18 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.1 m -95.94 102.04 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -52.6 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -60.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -39.45 -50.88 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 5.8 ttp180 -61.15 -57.19 13.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -44.78 -46.04 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 86.2 t90 -53.82 -57.21 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 107.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.514 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.5 tmm? -48.7 -50.68 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.3 -16.83 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -99.92 -15.32 18.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.668 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.52 36.07 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 75.3 t -156.02 115.54 2.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.62 8.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.01 -30.67 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.6 mmtt -89.06 -30.42 18.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.04 125.04 1.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.1 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.97 133.82 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.568 1.825 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.23 158.59 36.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.507 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.507 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 158.52 98.93 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.004 0.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -138.45 83.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 10' ' ' ILE . 2.7 mp -62.16 147.82 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -154.34 112.67 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -78.08 81.45 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 -89.63 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -136.23 14.65 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.02 120.56 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.7 t80 -54.09 114.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 101' ' ' PHE . 52.7 t -81.53 -77.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.8 147.47 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.76 -176.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 18.2 t80 -53.58 -44.07 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -43.22 -55.79 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 91' ' ' GLU . 58.1 m -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 2.5 t80 -38.38 -44.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.09 -39.74 60.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.7 tt0 -61.11 -13.85 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -100.37 -45.04 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.577 ' HD3' ' CE1' ' A' ' 89' ' ' PHE . 5.8 mtmp? -46.23 -39.17 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.96 -40.81 81.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.73 11.06 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' SER . 22.4 m-20 50.35 57.42 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.353 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' VAL . 20.2 p -120.69 1.96 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.503 ' CG2' ' CG ' ' A' ' 93' ' ' LYS . 2.7 t -38.07 -45.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.544 ' CZ ' HD13 ' A' ' 39' ' ' ILE . 82.0 m-85 -57.12 -54.4 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 t -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 1.6 t80 -59.02 -36.08 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -92.32 3.58 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.55 37.24 35.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 102' ' ' LEU . 14.9 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.486 ' CG2' HG21 ' A' ' 76' ' ' ILE . 41.9 mm -80.52 84.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 42' ' ' GLU . 78.7 mtp85 -63.1 100.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -96.43 108.27 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -73.89 130.44 39.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -137.93 148.31 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.68 88.03 2.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 69.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.3 t -178.81 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.0 p -43.95 110.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -44.05 -51.99 7.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 94.6 m-85 -37.54 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.56 -44.23 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -47.19 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.82 -53.25 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.85 -58.85 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.93 -54.92 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 82.0 mttt -58.71 -43.24 90.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.4 mm100 -83.83 -56.44 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' GLN . 22.8 t0 -39.12 -32.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' VAL . 69.2 t -66.64 -88.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -37.64 -55.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.5 mmt180 -37.13 -61.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -51.9 -40.37 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 41' ' ' PHE . 13.4 mt -68.64 -57.08 6.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -50.92 -51.6 50.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.19 -21.84 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m-80 -111.09 25.94 11.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 33.78 39.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.481 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 14.4 mt -82.95 147.35 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 3.0 pt-20 -81.79 134.77 35.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' HD13 ' A' ' 34' ' ' LEU . 26.8 p90 -176.27 177.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 7.8 pt-20 -148.99 144.8 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.55 89.35 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.6 83.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.9 t0 -56.73 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 8.4 pt -71.72 -24.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.29 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.443 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 20.5 mmt -68.53 -44.64 74.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.7 m -109.88 114.49 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.58 -55.2 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 2.6 tt0 -40.92 -61.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 89.3 mm-40 -37.63 -54.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -56.2 -52.01 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -51.89 -56.58 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 48.5 t90 -48.81 -50.87 32.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 107.972 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.7 ttp -48.83 -47.57 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 6.0 m-30 -66.43 -9.02 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -100.38 -7.63 24.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.594 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -123.66 35.05 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 71.9 t -149.06 116.01 3.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -75.04 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.71 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.99 -23.87 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 13.8 mmtt -93.38 -32.21 14.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 18.4 mttt -39.46 134.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 m120 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.96 147.07 33.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -124.52 158.0 63.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 169.01 23.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.98 157.76 99.42 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.95 -0.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -139.94 85.09 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 HG21 ' CG2' ' A' ' 10' ' ' ILE . 2.8 mp -61.38 138.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 9.8 m-85 -147.69 109.73 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -80.63 89.37 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.54 -90.62 1.04 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -136.14 12.22 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.38 117.12 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.1 t80 -59.93 116.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.8 m -81.19 -75.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.6 152.61 7.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -71.84 178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.797 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 28.1 t80 -47.16 -33.93 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 6.0 m -67.36 -61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 2.4 t80 -37.88 -47.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.05 -50.63 67.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -17.45 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ASN . 28.3 m -97.43 -22.68 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -66.52 -61.46 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.59 -15.95 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 -9.59 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' SER . 9.3 m120 59.38 41.13 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.8 p -116.29 -2.63 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 102' ' ' LEU . 22.0 t -37.01 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.481 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 48.7 m-85 -46.82 -53.76 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -67.28 -44.3 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 3.7 t80 -51.64 -38.0 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -83.91 -26.71 29.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.14 46.07 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.7 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' N ' ' HA ' ' A' ' 41' ' ' PHE . 33.8 mm -65.39 75.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.24 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' VAL . 54.7 t -88.02 126.79 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 5.3 m-30 -88.76 132.53 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.421 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.3 pp -133.33 150.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.97 80.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 44.1 p -38.97 -38.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -100.05 96.91 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 m -156.85 120.3 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -71.93 59.87 1.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 96.2 m-85 -163.58 83.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.04 -36.42 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.2 54.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 93.9 mt -64.42 -43.21 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -54.0 -64.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -46.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 51.2 mttt -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' NE2' ' HB ' ' A' ' 14' ' ' ILE . 21.5 mt-30 -55.23 -38.7 68.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -69.01 -61.5 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -40.02 -33.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 31' ' ' VAL . 68.0 t -66.66 -87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -39.2 -55.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.7 mmt180 -37.3 -55.71 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -58.21 -44.8 88.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.56 HD11 ' CG ' ' A' ' 41' ' ' PHE . 10.5 mt -64.12 -46.56 83.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 17.4 mm-40 -60.71 -50.4 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -25.48 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.5 m-80 -106.43 11.87 30.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.8 mmmt 39.7 49.84 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.553 HD12 ' CE1' ' A' ' 99' ' ' PHE . 69.4 mt -91.4 154.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.76 127.34 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.8 p90 -178.82 177.16 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 9.2 pt-20 -159.67 141.23 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.21 85.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 40.2 t -70.75 97.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' SER . 54.3 t0 -62.98 95.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 13' ' ' PHE . 5.9 pt -70.1 -28.82 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -49.62 68.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.455 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 16.9 mmt -81.93 -44.91 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 69.6 m -55.86 -40.93 73.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 68.99 -62.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.91 -39.93 83.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.433 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 23.7 mm-40 -62.9 -34.8 78.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -63.98 -68.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -41.1 -45.83 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 79.4 t90 -53.08 -52.72 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -48.92 -51.32 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -56.93 -15.09 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.97 -7.43 25.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -121.1 37.09 4.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 92.6 t -154.1 114.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.13 6.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.83 -23.22 66.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -100.08 -24.92 14.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -44.74 121.07 4.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.3 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 137.75 22.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 mt -117.8 159.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.94 160.52 96.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.989 -0.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 38.7 mm-40 -137.02 69.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' HD23 ' A' ' 102' ' ' LEU . 2.7 mp -44.94 137.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 20.3 m-85 -147.24 107.24 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -80.11 92.17 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 53.03 51.7 44.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 3.1 m-20 86.27 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -56.34 113.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.92 116.54 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.15 -75.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.18 151.62 6.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -65.25 175.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 19.5 t80 -45.04 -48.54 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -51.57 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -55.04 -60.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.7 t80 -45.65 -58.94 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -52.79 -53.53 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -42.64 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -19.87 58.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 1.8 ttpp -67.92 -49.15 63.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -57.45 -27.47 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.14 8.76 42.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 45.48 57.49 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.3 p -127.84 3.63 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -38.03 -49.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 39' ' ' ILE . 47.6 m-85 -52.78 -54.12 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.89 87.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -54.76 -36.84 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.486 HD23 ' CG2' ' A' ' 76' ' ' ILE . 2.6 mt -84.72 -17.62 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 16.2 22.24 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' PHE . 20.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' CD1' ' ND2' ' A' ' 78' ' ' ASN . 27.6 mm -76.89 79.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' PHE . 99.3 mtt180 -57.52 108.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 84.8 t -105.98 121.3 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CD2' ' CG2' ' A' ' 46' ' ' ILE . 3.2 m-85 -81.68 136.21 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.89 150.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 86.73 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.25 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -111.09 110.61 21.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.471 ' CB ' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -162.18 111.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.22 -54.78 1.57 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -61.83 125.57 24.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -87.79 -43.13 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.7 -36.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 96.0 mt -64.14 -53.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -42.88 -62.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.3 mptp? -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 71.3 mttt -42.17 -57.11 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 13.6 mt-30 -45.82 -40.83 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.9 mt-30 -68.36 -67.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -38.79 -30.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' GLN . 44.5 t -70.26 -73.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.3 m -54.9 -50.34 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.4 mmt180 -39.84 -54.74 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CE1' HG13 ' A' ' 98' ' ' VAL . 39.3 t80 -56.73 -50.14 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' LYS . 19.0 mt -57.65 -47.89 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.85 -49.71 76.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -103.31 9.2 38.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 43.59 43.19 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.547 HD12 ' CE1' ' A' ' 99' ' ' PHE . 68.0 mt -90.76 148.9 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 132.55 44.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.425 ' HA ' ' N ' ' A' ' 10' ' ' ILE . 4.3 p90 -179.79 174.72 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.18 150.31 28.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.9 88.62 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.536 HG12 ' CE1' ' A' ' 13' ' ' PHE . 92.4 t -68.44 83.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.23 104.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.592 ' CG2' ' CD2' ' A' ' 13' ' ' PHE . 9.4 pt -85.36 -21.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -63.19 -49.34 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 mmt -78.65 -53.79 6.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.2 m -83.58 91.91 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.62 -51.72 62.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -39.46 -61.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -43.86 -53.85 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -49.87 -64.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 71.2 mm-40 -44.01 -52.76 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 90.6 t90 -47.81 -54.87 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.9 ttp -46.61 -54.53 9.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.83 -17.19 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -99.15 -16.39 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -114.12 45.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 56.2 t -156.21 115.96 2.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.47 -21.81 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -96.84 -32.4 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mttt -41.81 130.34 2.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 24.7 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.88 34.63 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.4 158.87 71.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.535 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.03 169.93 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 158.57 98.91 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.029 -0.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -140.28 88.7 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.2 mp -63.32 149.96 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 82' ' ' TYR . 14.6 m-85 -158.27 120.51 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.54 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 1.8 m120 -88.46 104.51 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 40.72 60.53 2.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.9 t70 85.66 -43.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 137.71 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CD1' ' CE1' ' A' ' 77' ' ' PHE . 5.9 t80 -88.95 133.3 34.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.95 -72.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.15 165.15 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.84 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' A' ' 90' ' ' PHE . 55.9 t80 -49.91 -51.76 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -39.32 -64.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 2.1 m -50.6 -59.66 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 92.7 t80 -46.47 -58.13 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.598 ' CD2' ' OH ' ' A' ' 86' ' ' TYR . 26.1 t80 -56.79 -43.99 81.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.2 -14.04 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ASN . 15.6 m -98.6 -46.45 5.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -45.71 -38.57 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.6 -40.95 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . 28.3 t -101.97 7.66 41.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.2 t-20 54.36 46.8 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.5 p -106.57 1.26 25.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 33' ' ' PHE . 2.1 t -34.95 -55.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 39' ' ' ILE . 96.2 m-85 -51.08 -52.64 41.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.0 m -65.9 -38.84 89.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.5 t80 -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -99.99 18.06 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.62 23.29 58.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 14.8 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.2 t . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' CG2' HG21 ' A' ' 76' ' ' ILE . 37.7 mm -66.25 77.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' VAL . 96.3 mtt180 -55.0 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -95.85 114.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.4 m-30 -81.03 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.2 pp -136.72 149.79 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.66 90.95 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -67.82 68.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.4 t -176.44 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -39.01 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -47.44 -27.38 4.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CD2' HD13 ' A' ' 23' ' ' ILE . 3.5 m-85 -62.38 81.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.4 p -44.63 -38.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.79 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 20' ' ' PHE . 90.2 mt -58.88 -37.38 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -31.57 65.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -69.93 -46.1 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -60.08 -48.09 83.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.7 mt-30 -44.23 -35.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.4 mt-30 -70.27 -66.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.85 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLN . 70.7 t -69.67 -73.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.9 m -56.37 -50.0 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.1 mmt180 -37.86 -52.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -59.97 -44.81 94.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 41' ' ' PHE . 9.0 mt -64.28 -47.68 78.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 32.9 mm-40 -60.17 -49.5 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.25 -24.78 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.6 m-80 -106.2 12.89 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.5 50.82 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.421 HD12 ' CE1' ' A' ' 99' ' ' PHE . 77.8 mt -94.53 151.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.86 130.35 40.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CG ' HD11 ' A' ' 34' ' ' LEU . 4.1 p90 -178.59 173.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -153.31 143.71 22.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.52 86.8 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 90.9 t -70.07 85.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -56.09 92.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' ILE . 32.0 pt -67.26 -16.06 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -30.65 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 mmt -99.95 -48.57 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.39 -41.11 96.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.8 tt0 66.55 -72.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.5 tm-20 -40.27 -46.13 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -62.12 -42.65 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.1 ttt180 -49.45 -64.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-30 -45.21 -51.91 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 33.9 t90 -49.62 -47.21 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.5 ttp -54.42 -45.47 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.2 m-85 -66.05 -8.94 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -103.07 -9.66 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.5 m-80 -121.29 43.66 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 76.7 t -156.04 116.01 2.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -74.94 168.61 24.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.08 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.21 -10.72 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.2 mmmt -107.76 -30.74 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.8 mttt -39.15 123.15 1.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 91.1 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.54 158.43 36.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.99 169.7 22.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.533 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 160.47 96.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.02 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -140.72 83.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.481 HG21 ' CG2' ' A' ' 10' ' ' ILE . 3.1 mp -59.95 142.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -152.43 118.24 5.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.9 t-20 -86.74 86.47 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.11 62.4 6.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER 84.23 -43.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -49.86 121.7 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.5 t80 -72.16 111.47 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.77 -68.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.98 160.47 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 85' ' ' ASP . 43.5 p30 -79.72 178.64 8.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 21.5 t80 -42.01 -45.74 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.91 -54.64 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -56.19 -57.84 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 83.4 t80 -44.26 -56.67 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -56.28 -55.49 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.0 -48.53 21.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 -26.97 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.17 -22.19 60.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 t -103.8 3.97 34.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 52.05 44.43 29.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 98' ' ' VAL . 22.0 p -115.02 4.11 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 102' ' ' LEU . 3.0 t -37.12 -50.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 39' ' ' ILE . 62.0 m-85 -53.48 -50.32 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' THR . 19.9 m -70.29 -38.38 75.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.7 OUTLIER -53.41 -38.92 63.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.82 -23.66 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.2 43.86 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 32.0 mm -77.97 78.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 93.7 mtt180 -56.5 98.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -95.63 97.9 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.56 136.58 56.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -140.78 161.95 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -132.45 87.0 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.6 t -37.31 -83.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -61.38 80.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' SER . 29.3 t -131.3 108.1 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.37 84.46 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CG ' ' CD1' ' A' ' 23' ' ' ILE . 20.9 m-85 -154.79 -46.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 80.62 -53.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.499 ' N ' ' CG1' ' A' ' 21' ' ' VAL . . . -58.14 -47.4 83.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.552 ' CD1' ' CG ' ' A' ' 20' ' ' PHE . 91.8 mt -48.43 -48.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -46.9 -63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.5 -58.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 86' ' ' TYR . 91.1 mttt -51.92 -55.32 20.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.6 -36.48 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.0 mt-30 -73.22 -66.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.5 t70 -36.41 -34.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 70.0 t -62.96 -88.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -50.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' VAL . 14.3 mmt180 -37.45 -56.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.57 -46.04 77.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 41' ' ' PHE . 12.7 mt -59.16 -54.2 49.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.6 mm-40 -56.68 -51.89 67.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.4 -24.36 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -102.59 10.19 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.86 49.35 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 99' ' ' PHE . 81.6 mt -100.85 148.62 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.3 136.24 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 46.1 p90 -170.65 -173.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.8 pt-20 -155.97 143.75 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.75 84.92 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 t -67.58 93.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 49' ' ' SER . 46.2 t0 -65.47 97.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 53' ' ' ARG . 2.1 pt -67.84 -37.82 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -49.27 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.71 -52.04 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m -54.25 -39.71 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 67.05 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -46.25 -54.33 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -50.63 -46.13 58.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 47.3 ttt180 -50.6 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -42.72 -54.51 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 62.2 t90 -52.0 -51.93 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 45.2 ttp -49.71 -48.4 49.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.4 m-30 -62.3 -11.86 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -99.97 -7.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.97 38.89 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 53.7 t -150.34 116.31 3.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.71 22.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.37 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.447 1.761 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.73 -19.3 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' LYS . 27.4 mmtt -98.52 -31.93 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LYS . 32.0 mttt -39.94 132.5 1.48 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.97 147.98 34.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.542 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 72.8 mt -126.11 158.66 65.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.529 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.97 169.17 23.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.95 158.78 98.78 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.024 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -140.49 89.43 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CG2' HD21 ' A' ' 102' ' ' LEU . 2.0 mp -63.2 140.55 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 10.6 m-85 -154.1 112.44 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 26.6 t-20 -86.71 100.43 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.32 -93.16 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.99 14.92 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 120.27 41.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 4.3 t80 -61.13 121.49 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.25 -74.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.299 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.3 164.94 23.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -87.55 -173.43 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 51.0 t80 -48.41 -35.69 13.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.69 -52.4 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -64.71 -62.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CZ ' ' CE ' ' A' ' 93' ' ' LYS . 3.1 t80 -37.55 -44.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.94 -45.81 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.5 mt-10 -62.46 -15.07 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ASN . 39.3 m -98.34 -25.2 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CE ' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -67.66 -58.01 5.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -53.56 -24.59 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.98 -19.29 18.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 7.5 t-20 71.96 48.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 6.8 p -124.58 0.1 8.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 97' ' ' THR . 6.5 t -34.93 -56.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 39' ' ' ILE . 66.5 m-85 -48.24 -51.45 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.4 t -68.31 -40.68 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 2.6 t80 -55.76 -35.85 66.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 98' ' ' VAL . 0.4 OUTLIER -85.4 -22.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.02 37.15 4.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.491 ' CG2' HG22 ' A' ' 76' ' ' ILE . 27.6 mm -78.1 77.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -57.44 108.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' VAL . 77.9 t -106.3 123.68 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' HG11 ' A' ' 44' ' ' VAL . 3.5 m-30 -85.03 130.73 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 148.81 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' SER . . . -118.28 85.09 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.0 t -39.05 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.71 -81.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -162.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -154.8 31.14 0.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 10.2 m-85 -156.69 94.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -43.31 -28.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 20' ' ' PHE . . . -62.83 -49.48 74.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 28.6 mt -57.87 -41.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -36.06 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -63.75 -46.38 85.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 63.3 mttt -61.39 -48.88 79.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 16.3 mt-30 -44.57 -34.27 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.7 mt-30 -69.91 -69.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.8 t0 -39.11 -30.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLN . 70.8 t -67.3 -65.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.3 m -64.49 -49.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.7 mmt180 -40.37 -53.25 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 98' ' ' VAL . 40.8 t80 -55.9 -50.0 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' LYS . 20.6 mt -58.07 -49.01 78.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.91 -49.18 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.57 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -101.96 10.04 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 22.2 mmmt 43.49 40.82 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.553 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 66.9 mt -87.89 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.45 134.11 43.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -179.29 174.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -153.25 141.93 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 85.28 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG11 ' CE1' ' A' ' 13' ' ' PHE . 74.0 t -67.31 84.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -55.43 102.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 pt -77.42 -33.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.56 85.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.51 -50.19 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -101.94 112.22 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.61 -49.26 75.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -43.08 -58.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -47.14 -47.57 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' MET . 3.1 ttt180 -55.54 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -39.52 -51.22 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 79.8 t90 -46.1 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ASN . 61.5 ttp -53.73 -54.06 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -53.11 -18.32 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -96.78 -19.85 18.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.4 m-80 -108.62 39.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 80.8 t -155.95 115.63 2.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.55 22.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.89 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.59 -16.01 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -103.7 -29.87 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -39.92 119.96 1.44 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.9 p30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.455 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.91 138.76 23.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -119.42 158.41 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 169.13 23.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 156.98 99.89 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.992 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.598 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 9.5 mm-40 -140.45 76.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.491 HG22 ' CG2' ' A' ' 10' ' ' ILE . 2.5 mp -51.96 150.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 34.3 m-85 -155.73 108.1 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -81.04 93.35 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.49 56.36 22.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER 83.31 -35.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.477 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 3.6 ttt180 -51.5 127.07 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.07 86.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 101' ' ' PHE . 50.9 t -57.45 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.16 160.21 14.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -75.08 -178.67 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 24.8 t80 -51.37 -43.16 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -56.12 9.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -53.04 -59.42 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 50.7 t80 -44.63 -55.93 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -56.42 -53.19 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -49.06 14.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -73.07 -29.37 62.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.56 -46.96 85.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -2.6 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.3 t-20 60.16 53.29 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 17.9 p -124.3 4.36 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 89' ' ' PHE . 2.6 t -36.19 -53.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.553 ' CZ ' HD13 ' A' ' 39' ' ' ILE . 63.8 m-85 -50.88 -50.46 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t -69.54 -40.11 77.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -53.09 -34.64 57.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -89.76 -23.12 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.45 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m 62.25 107.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.17 168.97 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.19 156.24 12.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.67 114.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -91.68 -55.24 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.22 179.77 22.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 mtm -111.94 159.48 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t -155.34 114.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 76' ' ' ILE . 30.4 mm -76.71 78.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 96.5 mtt180 -57.97 102.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -96.64 112.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.1 m-30 -76.61 129.39 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.1 pp -134.47 143.07 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -115.6 81.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' ALA . 5.7 t -38.51 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -120.98 86.09 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -114.87 -53.46 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.97 -58.23 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.86 101.34 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.28 -39.69 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.3 -47.57 13.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.439 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 56.6 mt -54.36 -44.72 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.72 5.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -52.07 13.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 95.6 mttt -50.98 -48.98 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 16.3 mt-30 -55.7 -35.69 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.0 mt-30 -69.33 -66.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -38.54 -31.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLN . 78.8 t -68.53 -74.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.5 m -52.79 -47.76 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 13.3 mmt-85 -44.48 -56.66 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -51.79 -50.55 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' LYS . 23.5 mt -56.15 -51.36 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.87 -50.52 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.85 66.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -101.75 7.3 41.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 49.86 41.53 22.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.556 HD12 ' CE2' ' A' ' 99' ' ' PHE . 88.6 mt -94.79 144.5 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.9 pt-20 -79.21 137.17 37.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -173.99 -179.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 11.3 pt-20 -150.93 142.53 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' CG ' HG13 ' A' ' 31' ' ' VAL . 1.4 mt-10 -92.99 90.47 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 55.5 t -72.08 94.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -64.01 91.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' A' ' 13' ' ' PHE . 44.5 pt -65.76 -29.02 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -47.61 82.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.13 -53.21 32.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -97.07 104.84 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.68 -51.24 61.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -44.22 -59.98 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' OE1' ' CG1' ' A' ' 44' ' ' VAL . 35.9 mm-40 -38.7 -50.8 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 ttp-105 -63.24 -55.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -47.57 -45.97 27.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 73.2 t90 -53.87 -58.01 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.413 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 12.4 tmm? -46.36 -50.39 16.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.5 m-30 -56.81 -15.38 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -99.64 -12.37 20.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.616 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.1 m-80 -118.83 44.17 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 75.5 t -155.18 115.66 2.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.65 8.95 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 28.1 mmtt -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 30.6 mttt -39.84 120.15 1.43 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.96 172.03 17.16 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.5 m 37.45 -97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.3 pt20 -166.02 141.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 -158.48 27.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 68.3 m-20 -46.71 156.1 0.55 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 136.07 19.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 mt -114.6 158.47 40.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.0 23.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 160.22 96.87 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.984 0.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.2 mm-40 -140.23 73.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.489 ' CG2' HD21 ' A' ' 102' ' ' LEU . 2.7 mp -51.17 141.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 18.8 m-85 -148.38 110.72 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 34.4 t-20 -85.55 98.51 10.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.12 -91.7 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.78 13.86 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 127.66 53.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -66.15 105.35 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 m -70.79 -75.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.9 150.25 5.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -69.31 -178.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.592 ' OH ' ' CE2' ' A' ' 90' ' ' PHE . 29.9 t80 -49.08 -35.14 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -50.73 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.53 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.87 -60.19 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.4 t80 -45.21 -59.66 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.592 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 4.8 t80 -51.4 -50.33 59.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.68 -16.35 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -94.84 -44.93 7.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 6.5 mtmp? -47.06 -40.85 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.4 -33.14 70.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 92' ' ' SER . 23.3 t -100.9 -1.56 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.7 t-20 57.23 45.81 19.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 p -115.83 8.82 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.519 ' N ' ' HG ' ' A' ' 92' ' ' SER . 2.1 t -41.22 -44.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.556 ' CE2' HD12 ' A' ' 39' ' ' ILE . 64.8 m-85 -56.86 -54.5 45.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -67.05 -31.81 72.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -61.8 -33.75 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.489 HD21 ' CG2' ' A' ' 76' ' ' ILE . 2.0 mt -89.6 -22.03 22.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.51 33.56 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -100.11 55.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.16 81.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -176.41 84.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.97 172.29 30.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.05 26.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.29 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.77 159.62 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -143.3 149.68 38.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -156.85 -61.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.949 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 163.34 43.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.47 -55.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m 62.98 106.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.27 137.85 33.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mtt -79.1 159.21 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -156.16 114.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 35.0 mm -77.23 82.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 48.1 mtm180 -61.47 95.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.0 t -88.93 108.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' A' ' 46' ' ' ILE . 3.7 m-30 -76.53 125.1 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.5 150.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.89 87.88 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.8 t -37.93 -82.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' SER . 48.6 p -111.13 -49.37 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -63.16 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.43 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.2 -34.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.52 -47.97 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 61.4 mt -54.66 -53.01 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -43.33 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -39.83 -47.26 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HE2' ' CE2' ' A' ' 86' ' ' TYR . 89.8 mttt -63.51 -52.82 59.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -52.24 -28.32 18.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 30' ' ' VAL . 1.9 mm100 -79.67 -60.1 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.2 t0 -40.17 -30.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 28' ' ' GLN . 75.5 t -67.0 -89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.28 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 mmt180 -37.63 -55.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 23.3 t80 -57.33 -45.91 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD11 ' CG ' ' A' ' 41' ' ' PHE . 10.1 mt -62.22 -50.6 71.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 53.3 mm-40 -58.68 -49.69 76.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -23.84 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -102.01 5.76 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 51.01 47.64 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' A' ' 99' ' ' PHE . 96.8 mt -98.9 149.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.58 136.98 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CG ' HD11 ' A' ' 34' ' ' LEU . 36.0 p90 -174.54 -176.64 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 9.3 pt-20 -154.43 141.26 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 88.38 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 41.1 t -70.09 91.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 48' ' ' MET . 19.3 t0 -62.45 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' A' ' 13' ' ' PHE . 14.9 pt -60.73 -20.99 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -48.44 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.6 mmt -71.41 -57.64 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 m -86.53 103.29 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.11 -55.26 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -41.05 -58.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -41.33 -50.18 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' NE ' HD12 ' A' ' 46' ' ' ILE . 34.3 ttt180 -61.62 -56.8 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -46.23 -46.78 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 88.3 t90 -51.77 -56.46 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -48.39 -51.54 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.5 m-30 -55.64 -15.68 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.07 -17.01 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.612 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.1 m-80 -112.37 42.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 71.3 t -155.27 115.32 2.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.62 22.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.81 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.51 -10.27 59.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -110.68 -26.5 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -40.25 118.77 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.04 171.37 18.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' PRO . 64.8 m 35.52 -105.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -152.65 161.35 42.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.57 -157.27 52.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 p30 -50.05 159.9 0.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.32 14.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -111.04 158.76 34.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 169.64 22.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.93 161.78 94.13 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.023 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -140.85 79.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' A' ' 102' ' ' LEU . 3.4 mp -51.84 135.9 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 11.4 m-85 -147.17 107.46 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -80.56 89.94 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 77.56 -91.76 1.07 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -137.56 13.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 119.01 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -59.56 111.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.0 m -84.87 -64.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.7 162.41 11.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -83.02 179.6 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.53 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 29.1 t80 -41.72 -45.16 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.17 -57.48 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 88.6 t80 -51.25 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -47.43 -54.82 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -45.35 34.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -73.51 -23.51 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -63.99 -46.61 83.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.68 -27.49 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 -0.74 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 55.97 55.92 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.4 p -125.81 2.34 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.479 HG23 ' CE1' ' A' ' 89' ' ' PHE . 2.8 t -37.68 -54.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.538 ' CE2' HD11 ' A' ' 39' ' ' ILE . 48.0 m-85 -48.28 -52.19 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -44.53 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.4 t80 -47.69 -37.22 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -83.59 -27.21 29.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.93 32.4 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -100.49 130.36 46.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 119.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.28 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.11 -152.39 48.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.02 3.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.4 p -98.29 145.47 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.3 m 49.15 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 p -110.42 137.35 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t 61.6 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.37 -152.26 22.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.25 142.47 50.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -121.24 132.26 54.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.15 141.8 8.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 11.2 mtm -97.84 122.28 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.72 114.21 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 32.2 mm -76.47 79.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 97.7 mtt180 -59.27 96.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 42' ' ' GLU . 97.0 t -91.54 116.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -82.36 131.24 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -138.92 149.27 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.38 89.4 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -40.14 -29.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.5 m -104.3 73.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.8 p -123.24 88.69 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.51 -29.89 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -77.58 94.83 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.32 -44.44 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.89 -46.46 10.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 65.3 mt -56.85 -51.59 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.0 -56.92 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -40.34 -49.9 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -57.66 -54.52 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 10.9 mt-30 -44.05 -39.11 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' ASP . 6.3 mt-30 -68.58 -65.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -36.71 -35.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' GLN . 72.8 t -63.8 -88.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -40.11 -53.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.2 mmt180 -37.37 -59.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -56.53 -46.86 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD11 ' CG ' ' A' ' 41' ' ' PHE . 14.3 mt -59.01 -49.66 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.5 mm-40 -60.71 -49.69 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' CB ' HG13 ' A' ' 39' ' ' ILE . 22.9 m-80 -104.83 14.67 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 42.49 49.89 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.329 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' A' ' 99' ' ' PHE . 64.0 mt -100.04 146.36 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 8' ' ' MET . 2.5 pt-20 -81.41 135.74 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CG ' HD11 ' A' ' 34' ' ' LEU . 38.6 p90 -173.52 179.09 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' VAL . 5.9 pt-20 -149.62 143.66 25.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.63 90.86 7.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 59.0 t -71.11 85.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -58.38 96.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' ILE . 29.9 pt -69.02 -34.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -50.78 72.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.42 -54.22 43.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 m -99.4 114.79 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.98 -57.85 10.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -60.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -38.45 -53.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -58.64 -52.73 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -50.04 -44.23 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.8 t90 -54.34 -59.83 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 107.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.51 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 tmm? -46.07 -51.12 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.44 -16.25 2.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -100.15 -15.81 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.671 ' N ' HD21 ' A' ' 59' ' ' ASN . 0.9 OUTLIER -112.98 39.21 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 82' ' ' TYR . 87.5 t -156.7 115.67 2.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.35 8.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.84 -31.2 70.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.6 mmtt -88.53 -29.58 19.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.45 123.85 1.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.98 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 53.2 m 36.42 -96.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' PRO . 3.2 pp0? -163.39 151.36 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.29 -165.22 48.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -40.85 157.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.95 158.42 31.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.5 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.98 168.5 24.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 167.51 80.25 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.028 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -144.8 73.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CG2' HD22 ' A' ' 102' ' ' LEU . 3.0 mp -50.11 137.73 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.401 ' CE1' ' HD1' ' A' ' 82' ' ' TYR . 10.1 m-85 -145.8 106.83 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -77.17 83.94 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.6 -93.24 1.56 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.24 16.96 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.31 134.29 53.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CE1' HG23 ' A' ' 60' ' ' VAL . 7.4 t80 -69.57 120.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.1 m -88.89 -70.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.41 149.17 5.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.05 178.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 19.6 t80 -47.59 -43.65 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.89 -55.72 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.4 m -49.54 -57.82 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.1 t80 -46.27 -61.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.07 -55.75 16.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.08 -45.08 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -30.37 65.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -57.04 -49.69 75.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -57.66 -27.77 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.43 6.77 45.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 47.12 55.35 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 98' ' ' VAL . 3.2 p -127.52 3.33 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 102' ' ' LEU . 4.4 t -36.83 -50.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CZ ' HD12 ' A' ' 39' ' ' ILE . 31.9 m-85 -52.66 -51.5 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 t -68.74 -38.65 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.2 t80 -54.58 -37.91 66.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.475 HD22 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -84.82 -25.31 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.0 38.66 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.44 59.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -174.36 175.86 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 m 69.93 -61.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LYS . . . -57.78 -165.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 t 62.35 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -58.84 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.29 90.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.78 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -118.8 149.77 40.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.97 -172.08 16.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -129.6 166.04 20.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -96.49 68.29 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.9 148.54 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 16.7 mtm -96.78 123.9 40.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.62 117.51 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' CD1' ' ND2' ' A' ' 78' ' ' ASN . 31.9 mm -78.07 85.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 31.2 mtm105 -65.13 87.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -86.95 118.18 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CD2' ' SD ' ' A' ' 56' ' ' MET . 4.8 m-85 -77.65 135.68 38.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.3 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -122.54 87.47 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -38.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' OG ' ' A' ' 16' ' ' SER . 1.2 t -74.65 83.68 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -72.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.71 -30.69 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.92 93.46 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 p -49.17 -36.06 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.5 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 61.1 mt -53.83 -43.54 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -59.64 -53.23 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -50.76 28.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 72.6 mttt -53.37 -47.98 68.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 12.1 mt-30 -53.49 -36.42 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 30.2 mt-30 -68.35 -69.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -38.59 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' GLN . 74.1 t -68.24 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.1 m -56.71 -49.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mmt-85 -40.41 -53.55 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.43 -51.22 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . 21.1 mt -56.37 -52.7 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -55.93 -51.39 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.42 -21.53 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -101.78 4.06 40.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' LEU . 42.1 mmtt 55.15 32.4 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 99' ' ' PHE . 61.4 mt -83.13 146.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' MET . 1.9 pt-20 -81.99 136.48 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -175.24 177.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.38 138.78 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -89.16 80.03 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.41 97.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.4 t0 -68.46 107.12 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.2 pt -85.79 -36.56 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -31.45 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.437 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 13.7 mmt -87.2 -49.71 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -99.76 95.16 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.0 -51.43 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -57.47 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -44.24 -46.39 8.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -58.63 -64.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -43.95 -56.07 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 42.4 t90 -47.68 -46.07 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 31.7 ttp -58.45 -44.14 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.11 -8.93 26.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -102.83 -10.93 18.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -117.36 39.3 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 77.2 t -155.88 115.88 2.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.473 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.94 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.36 9.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.72 -9.25 58.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.3 mmmt -111.44 -27.48 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.5 mttt -39.24 117.77 1.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.02 154.62 42.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.5 m 35.31 -120.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -52.27 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . -67.15 -81.14 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.1 m120 -38.89 138.36 0.82 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 18.3 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -117.81 158.51 45.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.0 Cg_endo -75.08 169.0 23.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 158.76 98.8 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.996 0.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -140.7 84.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG23 ' CD2' ' A' ' 102' ' ' LEU . 3.2 mp -57.8 140.92 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.7 m-85 -153.56 108.55 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.4 t-20 -82.43 95.64 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 76.45 -91.68 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -138.15 14.05 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 130.98 54.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.8 t80 -68.04 118.78 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.63 -68.41 0.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.47 155.79 7.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.64 -177.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 0.821 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 2.5 t80 -52.09 -39.1 59.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -57.31 -52.69 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.561 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 73.6 t80 -46.93 -60.31 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.29 -52.64 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.65 -50.57 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 1.2 m -71.29 -25.14 62.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 3.7 ttpp -62.37 -48.37 80.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -59.58 -27.81 66.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 t -100.9 7.17 43.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 49.43 57.56 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 53.6 p -128.02 3.15 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 97' ' ' THR . 4.2 t -37.54 -53.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 39' ' ' ILE . 49.6 m-85 -48.89 -51.37 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -43.4 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -49.28 -39.88 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.94 -21.34 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.87 49.51 1.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 99' ' ' PHE . 71.7 mt -108.78 -107.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.65 79.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.5 t -156.28 76.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 62.79 -171.6 11.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 74.49 3.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -86.84 -44.54 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -106.61 89.5 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.47 126.47 55.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -142.49 158.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.24 148.27 5.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -168.07 94.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.6 136.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.87 -179.12 20.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.5 mtm -115.91 165.05 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.8 t -161.07 101.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 76' ' ' ILE . 33.6 mm -65.85 74.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' VAL . 91.9 mtt180 -51.8 103.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.8 t -98.47 112.38 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CD2' ' CG2' ' A' ' 46' ' ' ILE . 3.3 m-85 -77.78 132.81 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.89 149.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -125.86 77.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -65.66 73.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.4 t -176.87 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 27.6 t -39.42 145.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.43 46.15 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -138.87 84.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.46 -32.32 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.07 66.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 96.1 mt -68.63 -37.45 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -56.99 -63.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.66 -53.92 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 45.2 mttt -51.86 -54.02 33.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 13.6 mt-30 -47.61 -42.85 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -67.4 -63.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.59 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' GLN . 47.3 t -73.09 -88.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -38.97 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.5 mmt180 -38.16 -54.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -59.87 -45.14 93.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.531 HD11 ' CG ' ' A' ' 41' ' ' PHE . 8.4 mt -61.86 -46.22 90.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.9 mm-40 -62.77 -48.81 77.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.85 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 48.5 m-80 -104.81 11.35 33.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.3 mmtt 39.13 53.08 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.39 155.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.4 mt-10 -72.56 127.47 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.3 p90 -178.91 178.75 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 4.2 pt-20 -159.43 154.06 24.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.46 79.14 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.56 93.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -62.36 110.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' CD2' ' A' ' 13' ' ' PHE . 4.7 pt -92.19 -21.31 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -36.76 81.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmt -89.85 -47.88 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -92.31 90.72 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.76 -47.87 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.56 -56.29 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -48.41 -49.96 32.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -46.42 -59.22 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -44.86 -49.84 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.419 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 24.2 ttp -57.01 -41.88 79.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.3 m-30 -71.24 -3.97 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -106.24 -10.87 16.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.534 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.5 m-80 -118.46 35.0 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 93.8 t -153.24 115.64 2.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.59 16.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.34 7.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.39 -15.79 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.9 mmtt -102.05 -32.14 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 26.6 mttt -39.47 124.4 1.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 175.18 11.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.4 m 36.85 -97.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' PRO . 6.7 pt20 -167.74 123.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.54 -162.57 12.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -42.63 158.39 0.22 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.06 123.8 8.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -105.81 158.23 32.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.509 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.5 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 158.87 98.69 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.951 -2.521 . . . . 0.0 111.003 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.24 82.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.5 mp -59.04 135.86 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -148.28 110.59 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.2 t-20 -81.02 84.33 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.99 -93.13 1.67 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 7.7 t0 -133.12 11.13 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -110.02 127.13 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.489 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.8 t80 -67.15 126.7 30.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.35 -65.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.42 155.68 8.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 58.1 p30 -78.49 176.77 9.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 16.0 t80 -44.85 -30.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.426 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 2.0 t0 -61.33 -45.61 93.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -66.3 -52.0 51.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 79.1 t80 -47.04 -58.77 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -55.02 -52.24 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.86 -51.62 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -70.69 -25.33 62.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.85 -45.62 88.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.4 -29.94 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.5 t -101.67 6.48 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 52.32 59.42 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 21.4 p -127.98 4.37 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.6 t -38.19 -50.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LEU . 46.8 m-85 -52.21 -53.82 38.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -37.83 85.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -56.71 -33.57 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -95.92 8.95 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.74 41.86 81.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' PHE . 14.3 mt -108.95 61.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.88 82.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.87 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.49 179.51 16.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 66.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.808 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.0 t -107.7 140.73 40.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.6 164.97 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 p -176.74 145.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 0.725 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -167.77 132.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.5 116.98 1.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -161.14 128.98 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.15 88.48 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 134.68 7.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.5 mtp -106.56 171.82 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t -156.18 101.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' ' HA ' ' A' ' 41' ' ' PHE . 29.9 mm -70.78 74.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 92.1 mtt180 -48.09 103.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -101.45 98.83 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 136.4 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -141.49 152.0 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -124.7 85.87 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' SER . 1.4 t -37.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -62.3 81.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' SER . 19.5 t -112.31 -60.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.82 -63.03 0.62 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.44 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.93 -30.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.52 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.1 mt -53.32 -48.52 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -63.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -45.21 -55.65 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' CE2' ' A' ' 86' ' ' TYR . 78.2 mttt -51.66 -52.76 45.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -49.53 -36.17 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 14.4 mt-30 -71.27 -68.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.9 t0 -38.65 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 28' ' ' GLN . 51.4 t -65.01 -65.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.2 m -65.03 -49.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 10.9 mmt-85 -39.32 -50.99 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 98' ' ' VAL . 31.9 t80 -59.17 -50.54 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LYS . 16.1 mt -57.82 -47.49 82.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.8 mm-40 -59.56 -48.82 80.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.57 -22.76 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 31.8 m-80 -102.46 9.28 39.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER 44.8 49.7 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.521 HD12 ' CE1' ' A' ' 99' ' ' PHE . 80.1 mt -102.11 145.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 2.0 mp0 -71.73 141.33 49.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HA ' ' N ' ' A' ' 10' ' ' ILE . 8.3 p90 179.06 172.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.5 pt-20 -150.26 139.25 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -85.86 79.78 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -66.24 93.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -64.68 95.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 8.3 pt -68.08 -34.74 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -46.43 85.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 mmt -70.15 -55.08 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 103.33 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.34 -56.66 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -40.62 -62.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 52' ' ' GLN . 24.6 mm-40 -38.0 -55.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 11.6 ttp-105 -55.29 -53.11 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -49.61 -55.1 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 58.4 t90 -51.61 -49.32 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.5 ttp -54.35 -44.29 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.6 m-30 -66.42 -8.67 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -103.59 -9.99 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.4 m-80 -118.23 36.72 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 69.1 t -151.83 115.71 3.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -29.08 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.73 -19.0 64.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.8 mmtt -101.62 -30.59 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.6 mttt -40.33 120.51 1.6 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.98 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 50.2 m 36.88 -96.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' PRO . 1.6 pp0? -166.66 138.82 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.49 -161.58 26.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.529 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 5.9 p30 -43.89 155.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 122.91 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.3 158.56 31.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.96 169.36 22.8 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.03 158.43 98.98 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.96 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.51 88.42 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 77' ' ' PHE . 3.6 mp -63.08 138.94 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.8 m-85 -149.99 110.02 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 27.5 t-20 -85.64 99.56 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.36 -94.2 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -135.31 11.69 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.51 126.87 52.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 5.9 t80 -67.74 117.1 9.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.0 -66.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.05 157.09 8.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 15.9 p-10 -71.37 -176.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 t80 -52.48 -38.35 59.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -50.9 65.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.49 -52.51 65.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.8 t80 -47.76 -59.8 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 3.2 t80 -53.44 -53.69 47.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.94 -50.94 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.5 OUTLIER -71.17 -25.45 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -63.58 -43.11 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.04 -32.14 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.23 7.2 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 53.0 60.89 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -126.43 1.5 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 33' ' ' PHE . 2.7 t -36.74 -55.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.521 ' CE1' HD12 ' A' ' 39' ' ' ILE . 62.4 m-85 -48.58 -51.3 28.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -69.14 -39.82 78.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -55.48 -36.72 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 10' ' ' ILE . 1.1 mt -81.66 -23.51 36.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.08 34.28 2.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 106' ' ' SER . 7.6 mt -106.95 136.52 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt 68.33 -68.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 104' ' ' LEU . 2.8 m -61.04 -55.39 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.85 176.91 1.6 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.132 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.51 5.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.9 p -95.84 154.3 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.1 t -158.78 99.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t 63.46 113.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.22 108.68 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.84 -157.51 41.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 65.15 119.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -92.36 90.1 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.4 -158.81 3.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.6 mtm -106.2 164.44 12.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t -158.42 111.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 76' ' ' ILE . 37.9 mm -75.06 78.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 94.1 mtt180 -58.16 101.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.1 t -98.78 117.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -80.58 132.12 35.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.1 pp -135.54 147.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -118.72 83.62 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.51 -30.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -112.77 116.23 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.92 115.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.01 -68.28 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -42.98 105.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.36 -34.32 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.63 -43.83 26.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 86.6 mt -50.74 -54.53 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.23 -64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.29 -54.92 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 43.1 mttt -50.24 -56.59 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 14' ' ' ILE . 23.7 mt-30 -44.4 -41.24 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.3 mt-30 -69.52 -61.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -38.7 -31.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' GLN . 72.1 t -71.18 -89.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.01 -50.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 29.2 mmt-85 -37.53 -54.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 17.5 t80 -59.0 -48.36 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' A' ' 41' ' ' PHE . 12.2 mt -57.86 -49.87 75.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 6.7 mm-40 -59.97 -48.02 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.34 -21.76 66.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 13.1 m-80 -100.98 -0.19 37.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 57.64 36.89 27.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.566 HD13 ' CE2' ' A' ' 99' ' ' PHE . 74.7 mt -88.98 151.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.94 136.3 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 34' ' ' LEU . 34.5 p90 -172.89 179.24 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 7.7 pt-20 -149.67 141.82 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.85 90.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 60.2 t -68.96 89.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.88 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' A' ' 13' ' ' PHE . 11.6 pt -80.32 -16.64 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -41.36 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mmt -77.67 -51.92 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -94.64 118.7 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.33 -53.04 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -39.65 -62.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm-40 -38.88 -55.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -54.15 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -49.71 -45.63 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 69.7 t90 -53.33 -58.21 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.049 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -46.09 -51.18 14.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -56.63 -16.2 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -99.3 -13.33 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -119.34 47.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 58.9 t -158.0 116.64 1.85 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.75 21.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.59 9.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.39 -23.53 63.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.1 mmtm -94.94 -32.17 13.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -39.39 119.51 1.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.05 157.69 42.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 68' ' ' GLN . 65.6 m 36.65 -115.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 67' ' ' THR . 64.8 mt-30 -158.67 135.01 9.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . 110.48 74.78 0.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.4 OUTLIER 56.39 164.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 134.36 17.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -117.49 158.76 44.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.08 169.47 22.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.94 162.82 92.06 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.022 -0.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 20.8 mm-40 -141.02 71.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.478 HG23 ' CG2' ' A' ' 10' ' ' ILE . 2.7 mp -49.61 139.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 15.5 m-85 -147.88 109.6 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.8 t-20 -81.13 86.73 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 57.32 54.75 34.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 m-20 85.83 -38.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.05 109.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -59.67 108.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.0 m -82.57 -70.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.38 150.84 5.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -67.82 174.86 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 27.2 t80 -38.81 -45.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.43 -56.47 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 70.1 m -50.56 -55.69 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 77.1 t80 -49.65 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 93' ' ' LYS . 22.0 t80 -45.52 -58.49 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -42.35 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -25.94 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.07 -51.13 70.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -55.32 -27.57 47.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.9 t -100.01 9.29 43.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 43.3 50.72 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.3 p -120.84 2.51 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.502 HG21 ' CD1' ' A' ' 89' ' ' PHE . 2.9 t -36.37 -53.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 39' ' ' ILE . 69.3 m-85 -50.5 -52.34 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -38.35 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.9 t80 -58.3 -33.41 69.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.4 mt -90.31 -26.63 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 42.44 2.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.168 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.92 42.8 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.98 81.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.2 p -175.89 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.959 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 92.28 178.64 41.44 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m 73.63 -59.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 m -148.87 104.66 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -119.81 164.52 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t 65.14 98.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.53 119.4 0.64 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -104.53 78.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.86 90.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.09 133.32 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 13.9 mtm -104.22 120.14 40.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 31.1 mm -74.94 77.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 95.5 mtt180 -57.33 93.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 10' ' ' ILE . 73.3 t -92.74 116.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -79.92 134.34 36.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.83 154.0 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -129.29 91.41 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.48 -57.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.3 89.59 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -0.48 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.08 -62.61 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -60.95 102.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.57 -17.41 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.78 -41.47 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 73' ' ' PRO . 87.4 mt -66.72 -34.59 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -69.57 -31.96 70.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -50.31 63.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 53.9 mttt -58.01 -44.61 87.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -47.62 -38.03 13.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.5 mt-30 -70.74 -53.07 16.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLN . 3.5 t0 -40.25 -34.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 71.5 t -68.03 -87.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -37.86 -54.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 12.1 mmt180 -37.72 -58.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CE1' HG13 ' A' ' 98' ' ' VAL . 21.3 t80 -55.62 -48.13 75.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 41' ' ' PHE . 13.2 mt -58.57 -51.31 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 7.9 mm-40 -58.51 -49.15 78.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.6 -21.9 66.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -100.65 -0.85 36.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' LEU . 2.2 mmmt 59.59 33.56 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.563 HD12 ' CZ ' ' A' ' 99' ' ' PHE . 70.6 mt -85.87 150.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 8' ' ' MET . 1.9 pt-20 -85.42 136.07 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' CG ' HD12 ' A' ' 34' ' ' LEU . 38.6 p90 -171.31 -177.01 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 8.8 pt-20 -152.86 140.41 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.38 90.19 7.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 89.3 t -70.59 88.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.57 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.409 HG13 ' NE ' ' A' ' 53' ' ' ARG . 5.0 pt -70.1 -28.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -36.35 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mmt -89.48 -49.2 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 95.88 9.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.08 -42.56 72.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -57.1 -62.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLU . 28.5 mm-40 -38.15 -55.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' NH2' ' CB ' ' A' ' 15' ' ' ALA . 11.5 ttt180 -54.43 -52.75 60.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -52.66 -45.76 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 85.3 t90 -53.52 -57.45 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 14.0 tmm? -46.02 -53.23 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -53.28 -17.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -97.69 -20.64 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.3 m-80 -110.46 43.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 69.8 t -155.65 115.51 2.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.52 8.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -66.95 -34.59 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.2 mmtt -82.86 -35.38 26.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 24.5 mttt -40.42 134.54 1.54 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' THR . 18.3 Cg_endo -74.98 -82.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -45.48 -95.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.03 -46.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.05 -93.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 p-10 -100.57 158.62 31.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.64 30.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.7 158.57 59.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.02 168.68 24.28 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.97 159.6 97.78 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.033 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 39.3 mm-40 -136.29 75.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 102' ' ' LEU . 2.5 mp -50.64 136.02 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.1 m-85 -147.23 108.47 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 32.9 t-20 -85.46 100.11 11.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.28 -90.19 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -139.53 14.75 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 122.05 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.8 t80 -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.2 m -76.07 -70.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.53 163.06 14.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 54.3 p30 -78.27 179.81 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 42.2 t80 -51.4 -30.84 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -59.58 -46.98 87.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -61.51 -57.69 11.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 90.3 t80 -43.76 -55.41 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.2 -47.24 78.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.1 -13.79 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' ASN . 2.1 m -98.69 -38.25 9.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 7.2 mtmp? -52.92 -37.56 60.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.68 -37.02 72.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.53 -1.56 32.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 t-20 60.69 39.02 18.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 98' ' ' VAL . 9.0 p -101.63 4.79 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 33' ' ' PHE . 1.9 t -38.31 -50.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 39' ' ' ILE . 23.3 m-85 -51.59 -54.42 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -40.75 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -52.45 -35.67 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 1.2 mt -87.31 -24.38 24.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.07 32.48 3.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 mt -102.4 65.69 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' SER . 1.3 mtmt 173.55 -62.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -38.69 -57.59 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.43 148.51 48.68 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.47 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.5 m -144.59 109.08 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 164.22 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p -114.17 -58.51 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -124.16 114.84 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.62 102.34 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.57 156.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.024 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -103.01 -55.73 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.88 -174.48 40.84 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.424 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.0 mtm -105.69 162.78 13.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 8' ' ' MET . 3.1 t -160.6 104.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' CG2' HG22 ' A' ' 76' ' ' ILE . 39.9 mm -66.38 76.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.13 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' VAL . 94.5 t -97.9 123.35 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CD2' ' CG2' ' A' ' 46' ' ' ILE . 3.2 m-85 -87.97 136.88 32.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.96 142.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . . . -120.45 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -47.85 -37.51 14.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.32 -33.43 73.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.3 p -39.08 120.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.21 -63.07 4.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -38.07 116.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.03 -35.82 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.71 -37.58 3.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.11 -52.42 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.01 -66.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.8 -55.35 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 58.4 mttt -53.14 -62.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -40.68 -37.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.9 mt-30 -72.16 -67.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 6.0 t0 -38.71 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' GLN . 20.5 t -65.56 -66.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.2 m -65.94 -49.66 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 28.9 mmt-85 -38.31 -50.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -61.68 -46.24 90.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 41' ' ' PHE . 8.3 mt -63.04 -47.31 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 66.7 mm-40 -59.96 -50.02 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.81 68.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' LYS . 45.2 m-80 -104.62 12.93 32.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 6.7 mmmt 39.13 50.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.456 ' CG2' HD23 ' A' ' 34' ' ' LEU . 72.6 mt -94.55 150.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.29 129.28 38.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CG ' HD12 ' A' ' 34' ' ' LEU . 3.6 p90 -178.73 173.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -154.3 143.59 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -89.1 84.24 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG12 ' CZ ' ' A' ' 13' ' ' PHE . 77.8 t -65.37 84.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -55.37 101.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.524 ' CG2' ' CD2' ' A' ' 13' ' ' PHE . 14.3 pt -83.07 -20.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.58 -30.12 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 mmt -91.65 -41.53 10.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -103.08 106.67 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -49.82 75.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -42.95 -61.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -43.05 -52.26 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -48.54 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -42.03 -53.14 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 43.8 t90 -49.48 -51.03 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ttp -54.7 -41.56 70.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.0 m-30 -70.82 -5.12 27.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -106.38 -13.19 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -115.69 39.88 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 72.0 t -154.43 115.72 2.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.37 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.69 -18.54 63.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.0 mmmt -101.07 -30.88 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.2 mttt -39.9 120.61 1.48 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.99 169.27 22.99 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 52.9 m 37.76 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -164.12 144.16 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.1 -165.79 36.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.1 p30 -42.03 156.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.468 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.4 mt -107.7 158.23 33.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.536 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.99 169.55 22.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.536 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.06 159.47 97.91 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.967 0.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -140.42 85.37 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG22 ' CG2' ' A' ' 10' ' ' ILE . 3.2 mp -61.64 143.46 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 12.0 m-85 -151.36 116.76 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -85.86 88.29 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 52.68 63.09 5.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.8 m-20 84.4 -43.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -53.07 124.61 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -74.81 115.03 13.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.1 m -86.37 -67.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.4 158.78 9.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -72.38 -175.93 1.72 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.542 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 39.2 t80 -52.29 -38.88 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -51.91 -51.28 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.4 m -58.29 -55.31 36.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 72.9 t80 -46.13 -59.15 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.95 -53.76 48.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -51.14 18.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m -71.37 -21.89 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -102.11 -16.97 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 95' ' ' SER . 3.4 t-20 75.8 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -120.96 3.94 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -37.17 -54.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 104' ' ' LEU . 13.4 m-85 -48.59 -50.56 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 t -70.34 -44.19 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -47.66 -37.61 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -85.34 -27.34 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.74 44.21 1.15 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PHE . 12.9 mt -113.47 56.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -172.8 75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 81.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.47 168.99 12.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 145.96 31.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.52 1.8 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p -173.1 132.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.8 p -121.63 149.57 42.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m 61.13 108.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.28 94.64 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.23 -96.82 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -117.25 138.3 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.17 147.2 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.58 157.51 21.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtm -92.8 121.89 34.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 0.747 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -89.3 112.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' CD1' ' ND2' ' A' ' 78' ' ' ASN . 28.1 mm -74.81 77.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -57.02 106.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -103.75 109.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -76.93 132.1 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt -138.38 145.87 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.31 75.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 85.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 164.54 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -39.91 125.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.575 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -73.76 61.13 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' GLY . 61.2 m-85 -155.92 87.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -45.67 -38.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.9 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.7 mt -54.54 -56.38 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -42.89 -63.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -40.63 -57.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 50.8 mttt -56.23 -46.81 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -55.66 -33.48 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.3 mm100 -75.98 -61.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 10.5 t0 -39.61 -30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' GLN . 75.1 t -68.03 -89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -53.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 6.3 mmt180 -36.94 -64.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -49.44 -41.67 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.535 HD11 ' CG ' ' A' ' 41' ' ' PHE . 9.4 mt -66.57 -52.22 47.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 58.8 mm-40 -56.98 -51.26 69.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.34 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 32.2 m-80 -104.81 13.21 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER 39.8 53.81 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.569 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 78.9 mt -97.86 154.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.11 132.35 41.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CG ' HD11 ' A' ' 34' ' ' LEU . 7.7 p90 -179.96 178.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.64 144.3 19.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.56 84.75 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 t -67.45 84.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -58.62 92.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 25.9 pt -65.14 -35.21 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.92 -41.11 74.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.42 -56.39 8.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -101.24 118.51 37.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.48 -54.54 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -39.76 -60.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -38.66 -53.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 47.7 ttt180 -60.62 -56.71 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.04 -55.4 6.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 78.8 t90 -49.39 -50.28 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.5 ttp -51.73 -46.04 63.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.2 m-30 -66.36 -7.5 19.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -106.87 -5.75 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.83 38.02 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.5 t -151.24 115.29 3.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 171.77 17.67 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.76 7.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -67.99 -22.14 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtt -101.15 -29.84 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -40.08 120.38 1.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 68' ' ' GLN . 1.4 m -44.34 156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.431 ' N ' HG21 ' A' ' 67' ' ' THR . 10.7 mm-40 65.52 -174.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.13 -100.65 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -41.14 158.21 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.02 146.13 32.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.16 158.49 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.532 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 158.55 98.93 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.982 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.55 87.89 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG22 ' CG2' ' A' ' 10' ' ' ILE . 3.2 mp -62.6 139.37 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -150.35 112.75 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 9.2 t-20 -80.16 85.29 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 48.5 69.55 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 4.4 t70 85.98 -44.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.791 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.79 128.3 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.566 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.1 t80 -81.52 105.56 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.463 ' CB ' HG23 ' A' ' 76' ' ' ILE . 74.3 m -76.08 -68.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.75 160.91 10.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -75.25 175.34 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 14.0 t80 -44.0 -40.66 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -52.91 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 58.6 m -57.59 -52.36 65.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 68.9 t80 -48.19 -59.94 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 33.6 t80 -53.37 -56.9 12.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -41.8 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ASN . 1.4 m -76.47 -26.08 55.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' PHE . 1.2 ttpp -60.63 -55.35 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.83 -24.6 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -94.87 -20.89 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 t30 75.3 36.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.9 p -113.33 6.48 17.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 2.8 t -37.29 -49.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 39' ' ' ILE . 28.6 m-85 -53.58 -51.38 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' THR . 2.0 m -69.53 -38.14 77.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -53.34 -39.08 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 98' ' ' VAL . 0.2 OUTLIER -84.07 -26.76 28.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.79 40.34 1.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD21 ' CD1' ' A' ' 10' ' ' ILE . 10.7 mt -109.37 59.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.62 149.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.0 t 66.12 153.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.44 -163.36 19.85 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.4 Cg_endo -74.97 75.89 3.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 1.6 m 165.5 104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.08 83.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.5 117.67 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -138.9 124.5 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.65 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.71 162.06 26.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -136.64 108.72 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.34 125.73 8.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.501 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 48.1 mtp -84.06 164.46 19.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 8' ' ' MET . 5.6 t -162.31 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' A' ' 76' ' ' ILE . 32.2 mm -65.39 75.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' VAL . 94.6 mtt180 -55.06 108.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' VAL . 78.6 t -103.76 122.7 56.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.7 m-30 -85.31 134.2 34.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -136.52 141.48 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.09 74.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 22.0 t -38.3 -44.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.59 64.33 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.4 p -130.91 120.59 23.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.92 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 100.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -33.46 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.28 27.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mt -46.07 -56.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.94 -61.97 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.76 -49.56 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 62.5 mttt -55.51 -54.22 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -51.57 -40.08 59.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASP . 60.1 mt-30 -60.62 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.0 t0 -39.02 -35.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 72.4 t -71.19 -81.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.6 m -41.29 -49.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.478 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 9.9 mmt-85 -45.02 -56.48 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.9 -40.67 57.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 38' ' ' LYS . 8.3 mt -69.43 -43.42 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.6 mm-40 -60.84 -47.79 84.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.26 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.3 m-80 -103.63 12.55 34.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.1 mmmt 39.65 44.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 HD12 ' CZ ' ' A' ' 99' ' ' PHE . 59.8 mt -86.72 150.46 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.1 mt-10 -71.37 128.6 36.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 34' ' ' LEU . 3.4 p90 -178.17 173.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -154.37 154.82 33.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -99.55 88.2 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 74.8 t -71.75 95.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -63.99 85.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG21 ' CD2' ' A' ' 13' ' ' PHE . 47.5 pt -59.22 -28.51 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -46.6 84.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -64.66 -51.47 62.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.5 m -102.53 103.93 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.5 -50.04 60.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.89 -60.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -40.14 -51.92 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -56.24 22.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -45.88 -46.4 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 91.4 t90 -51.79 -58.56 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 107.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' ASN . 5.5 tmm? -44.66 -54.61 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -52.69 -19.08 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' TRP . 6.9 mttt -97.79 -21.39 16.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.648 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.72 44.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 59.8 t -155.29 116.37 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.42 18.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.48 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.6 -33.06 74.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtm -82.93 -33.33 26.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . 11.4 mttt -39.16 133.79 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.96 -53.15 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -168.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -109.44 47.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.59 82.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.576 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.5 m-80 68.69 148.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 148.78 35.98 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.11 157.93 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.506 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 168.68 24.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 163.93 89.57 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.023 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 24.2 mm-40 -141.3 73.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' CG2' ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -50.91 143.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 19.0 m-85 -147.69 111.84 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 25.1 t-20 -81.68 80.75 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 56.42 62.69 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 5.0 t70 86.21 -43.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.7 113.32 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.7 t80 -64.26 113.68 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.463 ' CB ' HG21 ' A' ' 76' ' ' ILE . 85.7 m -78.02 -70.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.27 154.88 7.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -65.69 176.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 15.4 t80 -46.81 -44.76 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.34 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.45 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m -50.19 -61.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 84.0 t80 -44.61 -55.7 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -56.42 -45.82 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.39 -13.54 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASN . 58.0 m -99.55 -25.2 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -66.41 -41.46 89.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -53.14 -39.54 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.68 -11.15 23.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.0 OUTLIER 70.39 43.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.1 p -105.49 4.03 30.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 97' ' ' THR . 1.5 t -37.38 -45.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.447 ' CZ ' HD12 ' A' ' 39' ' ' ILE . 38.6 m-85 -57.77 -53.26 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.7 t -67.82 -38.78 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.6 t80 -54.15 -32.2 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.483 ' CD2' ' CG2' ' A' ' 76' ' ' ILE . 3.7 mt -92.03 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.53 3.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.9 mt -96.96 61.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.18 139.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 m 57.85 100.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 165.59 -170.76 40.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.112 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t -67.76 116.33 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.6 p -101.0 80.46 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -96.19 -60.44 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.63 159.63 16.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.06 102.31 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 82.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.41 127.26 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.34 150.5 19.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 mtm -96.7 119.86 35.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 t -84.74 110.59 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' CG2' HG21 ' A' ' 76' ' ' ILE . 23.0 mm -75.19 75.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -55.33 104.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -99.39 117.71 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.3 m-30 -81.08 130.92 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.58 143.88 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.76 90.64 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 27.2 p -69.0 64.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 159.8 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -123.81 -52.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 -53.38 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -59.17 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.09 -34.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.11 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 80.1 mt -60.95 -44.84 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -58.4 7.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -54.94 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 mttt -48.1 -54.27 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 10.7 mt-30 -47.48 -37.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.6 mt-30 -70.98 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.1 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' GLN . 71.2 t -68.46 -88.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.15 -53.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.9 mmt-85 -38.27 -61.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' HG12 ' A' ' 98' ' ' VAL . 25.0 t80 -51.97 -40.74 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD12 ' CG ' ' A' ' 41' ' ' PHE . 8.4 mt -66.97 -55.03 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 59.5 mm-40 -52.76 -53.6 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.47 47.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.3 m-80 -108.02 20.85 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 34.25 50.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 99' ' ' PHE . 36.8 mt -92.17 152.53 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 132.2 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CG ' HD12 ' A' ' 34' ' ' LEU . 9.9 p90 -179.27 177.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.09 149.05 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.39 88.65 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 97.4 t -73.24 89.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -58.91 98.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 13' ' ' PHE . 42.5 pt -74.08 -26.77 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.79 -42.51 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 m -95.79 87.06 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.62 -52.83 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -43.66 -51.39 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -54.67 -43.72 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.246 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -61.68 -64.06 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -42.99 -47.52 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -50.06 -55.16 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.13 -52.54 25.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 3.3 m-85 -55.31 -16.35 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -116.98 42.45 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 73.0 t -151.36 117.05 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.33 22.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.11 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.85 -18.76 62.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 13.0 mmtt -99.47 -32.5 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.2 mttt -40.35 119.13 1.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -74.97 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.0 m 41.21 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.4 pt20 -151.74 -50.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . -132.6 151.86 20.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.6 OUTLIER 62.08 133.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 137.75 22.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.3 mt -123.87 158.36 60.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.1 Cg_endo -75.02 168.98 23.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 163.69 90.12 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.923 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 21.2 mm-40 -141.12 77.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.485 HG21 ' CG2' ' A' ' 10' ' ' ILE . 3.0 mp -54.43 139.12 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 21.2 m-85 -148.46 105.12 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -77.48 93.99 4.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.23 -89.71 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -140.19 15.39 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.63 123.79 49.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.0 t80 -63.83 110.67 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.8 m -79.04 -74.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.72 152.09 6.64 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -67.92 176.98 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 37.1 t80 -45.4 -44.11 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -43.71 -55.57 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.9 m -56.49 -58.71 6.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 87.8 t80 -40.99 -55.31 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.22 -43.61 97.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -17.85 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -99.05 -43.56 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.3 mtmp? -45.36 -46.77 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -41.97 -46.64 4.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -93.87 -18.22 22.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 95' ' ' SER . 4.0 t-20 81.78 52.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.4 p -113.09 5.36 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 33' ' ' PHE . 1.5 t -37.67 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE1' HD12 ' A' ' 39' ' ' ILE . 83.7 m-85 -46.24 -53.96 9.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -46.46 73.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.8 t80 -47.01 -33.65 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 76' ' ' ILE . 1.1 mt -93.0 -25.78 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.49 41.41 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.68 55.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -164.08 157.88 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 m 60.98 88.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.27 -163.6 28.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.3 p -115.87 163.63 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.82 104.97 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -163.09 161.04 25.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.06 151.0 27.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.6 106.82 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.66 75.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -104.26 -72.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.94 134.92 7.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 mtm -96.83 127.96 43.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 2.7 t -92.1 111.93 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -75.61 78.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.22 102.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -98.44 104.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.2 m-85 -70.93 132.6 45.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pt -137.66 150.34 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.57 78.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -39.06 -31.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -114.41 86.92 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -122.45 -59.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.09 9.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ILE . 5.8 m-85 -88.77 83.77 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -43.65 -39.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.24 -46.23 65.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' PHE . 56.2 mt -63.28 -47.99 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.92 -40.03 60.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 82.7 mttt -48.9 -52.87 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -39.62 -35.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.357 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.3 mt-30 -72.46 -69.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' GLN . 20.0 t0 -36.53 -33.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' GLN . 56.5 t -62.97 -66.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.2 m -64.73 -47.34 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 8.4 mmm180 -38.31 -53.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 22.0 t80 -57.9 -49.79 75.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 14.7 mt -59.91 -46.15 90.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 61.5 mm-40 -61.26 -47.49 85.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.33 -23.19 64.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 34.1 m-80 -102.02 7.54 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER 46.05 42.05 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.494 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 67.8 mt -90.98 148.07 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -72.46 136.84 46.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 6.4 p90 -179.53 172.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 13.1 pt-20 -150.08 141.81 23.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -89.01 86.53 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 73.4 t -69.15 93.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 48.2 t0 -64.78 96.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 14' ' ' ILE . 4.2 pt -68.2 -34.3 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -44.96 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.426 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 14.7 mmt -72.68 -49.49 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.0 m -96.88 107.97 20.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -41.44 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -51.33 -67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -38.74 -58.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.74 -53.15 12.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -50.92 -57.69 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 36.4 t90 -49.26 -47.88 46.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.0 ttp -54.06 -41.79 68.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.7 m-30 -72.16 -3.06 21.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -106.35 -14.73 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -116.04 39.11 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 82' ' ' TYR . 70.8 t -150.78 115.87 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.07 8.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.0 -22.38 65.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -97.87 -31.58 12.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -40.14 125.45 1.68 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.03 163.29 35.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.4 m 40.92 -95.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' PRO . 7.8 pt20 -166.36 142.06 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . 92.18 -166.67 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 11.2 p30 -40.13 157.47 0.16 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.05 145.64 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.46 158.45 61.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.537 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.58 22.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.98 159.11 98.49 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.012 -0.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -140.52 92.4 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -63.61 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 9.1 m-85 -155.23 104.31 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 33.2 t-20 -79.82 89.26 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 81' ' ' ARG . . . 63.38 72.48 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 55' ' ' TRP . 4.6 m-20 49.08 22.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 78' ' ' ASN . 1.6 ttt-85 -110.4 111.32 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.2 t80 -59.71 120.91 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.34 -59.55 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.62 158.72 9.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.4 -169.64 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 27.0 t80 -50.08 -42.51 50.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -50.63 -56.45 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -55.74 -53.25 58.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 69.4 t80 -45.92 -56.97 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -55.4 -54.32 45.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -46.29 -45.41 17.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -74.23 -28.39 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -59.9 -46.57 88.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.17 -29.09 67.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 t -100.57 6.09 44.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 49.87 55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 98' ' ' VAL . 11.9 p -125.83 3.71 7.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 89' ' ' PHE . 2.4 t -36.02 -56.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 39.1 m-85 -48.31 -49.75 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -69.93 -41.54 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.0 OUTLIER -52.77 -36.72 58.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.441 ' CD2' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -86.07 -29.48 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.56 42.57 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 39' ' ' ILE . 16.2 mt -109.27 57.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.19 175.77 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.3 p 44.66 83.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.59 -151.24 23.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.0 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.18 100.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 t 62.58 138.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.36 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -172.86 81.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.11 -97.97 1.83 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.53 124.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -133.33 164.93 26.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.88 49.1 0.88 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.7 mtm -127.44 160.95 29.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -151.73 109.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 76' ' ' ILE . 33.1 mm -70.95 75.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -53.16 104.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLU . 99.2 t -97.2 118.04 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 3.7 m-85 -80.38 133.93 35.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.1 pt -137.99 147.91 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.71 82.09 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.65 -43.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.48 98.97 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 19' ' ' GLY . 85.3 p -129.7 -71.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . 143.76 -28.84 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 23' ' ' ILE . 12.7 m-85 -100.87 91.42 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.02 -32.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.27 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' PHE . 63.6 mt -60.27 -45.52 96.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -50.59 -59.01 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -59.37 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 61.7 mttt -48.82 -57.83 5.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' NE2' ' HB ' ' A' ' 14' ' ' ILE . 24.2 mt-30 -44.97 -39.64 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ASP . 1.8 mt-30 -69.82 -67.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -37.39 -34.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 71.9 t -63.26 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.12 -51.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -39.3 -54.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -58.93 -37.88 77.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD13 ' CG ' ' A' ' 41' ' ' PHE . 10.1 mt -70.65 -45.98 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 52.3 mm-40 -61.5 -50.06 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.37 67.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.3 m-80 -104.87 11.58 33.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 4.8 mmtt 39.22 52.23 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.544 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 64.8 mt -94.59 155.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.14 128.03 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.542 ' CG ' HD13 ' A' ' 34' ' ' LEU . 3.9 p90 -178.5 176.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 7.0 pt-20 -158.2 147.64 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.48 97.39 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 62.1 t -83.2 101.84 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.08 103.42 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.33 -14.1 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.39 -46.61 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 mmt -74.79 -49.18 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.1 m -95.94 102.04 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -52.6 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -60.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -39.45 -50.88 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 5.8 ttp180 -61.15 -57.19 13.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -44.78 -46.04 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 86.2 t90 -53.82 -57.21 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 107.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.514 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.5 tmm? -48.7 -50.68 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.3 -16.83 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -99.92 -15.32 18.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.668 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.52 36.07 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 75.3 t -156.02 115.54 2.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.62 8.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.01 -30.67 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.6 mmtt -89.06 -30.42 18.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.04 125.04 1.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 173.13 15.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.5 m 35.91 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.9 pt20 -166.08 139.29 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . 91.86 -165.05 29.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.1 m-20 -40.37 157.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.97 133.82 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.568 1.825 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.23 158.59 36.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.507 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.507 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 158.52 98.93 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.004 0.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -138.45 83.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 10' ' ' ILE . 2.7 mp -62.16 147.82 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -154.34 112.67 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -78.08 81.45 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 -89.63 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -136.23 14.65 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.02 120.56 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.7 t80 -54.09 114.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.61 ' SG ' ' CZ ' ' A' ' 101' ' ' PHE . 52.7 t -81.53 -77.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.8 147.47 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.76 -176.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 18.2 t80 -53.58 -44.07 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -43.22 -55.79 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 91' ' ' GLU . 58.1 m -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 2.5 t80 -38.38 -44.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.09 -39.74 60.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.7 tt0 -61.11 -13.85 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -100.37 -45.04 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.577 ' HD3' ' CE1' ' A' ' 89' ' ' PHE . 5.8 mtmp? -46.23 -39.17 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.96 -40.81 81.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.73 11.06 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' SER . 22.4 m-20 50.35 57.42 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.353 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' VAL . 20.2 p -120.69 1.96 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.503 ' CG2' ' CG ' ' A' ' 93' ' ' LYS . 2.7 t -38.07 -45.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.544 ' CZ ' HD13 ' A' ' 39' ' ' ILE . 82.0 m-85 -57.12 -54.4 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 t -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 1.6 t80 -59.02 -36.08 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -92.32 3.58 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.55 37.24 35.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 102' ' ' LEU . 14.9 mt -103.1 138.11 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 5.8 ttmt 67.11 75.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.59 166.51 2.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 57.03 -161.14 8.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -40.66 0.85 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.3 p 55.96 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.64 -58.12 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.9 m -83.68 139.14 32.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -163.29 124.24 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.96 144.54 0.61 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 164.41 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m 58.45 103.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.63 -160.33 29.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 mtm -97.06 155.78 16.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -151.38 119.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.486 ' CG2' HG21 ' A' ' 76' ' ' ILE . 41.9 mm -80.52 84.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 42' ' ' GLU . 78.7 mtp85 -63.1 100.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.3 t -96.43 108.27 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -73.89 130.44 39.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -137.93 148.31 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.68 88.03 2.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 69.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.3 t -178.81 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.0 p -43.95 110.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -44.05 -51.99 7.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 94.6 m-85 -37.54 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.56 -44.23 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -47.19 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -53.82 -53.25 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.85 -58.85 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.93 -54.92 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 82.0 mttt -58.71 -43.24 90.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.4 mm100 -83.83 -56.44 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' GLN . 22.8 t0 -39.12 -32.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' VAL . 69.2 t -66.64 -88.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -37.64 -55.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.5 mmt180 -37.13 -61.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -51.9 -40.37 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 41' ' ' PHE . 13.4 mt -68.64 -57.08 6.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -50.92 -51.6 50.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.19 -21.84 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m-80 -111.09 25.94 11.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 33.78 39.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.481 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 14.4 mt -82.95 147.35 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 3.0 pt-20 -81.79 134.77 35.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' CG ' HD13 ' A' ' 34' ' ' LEU . 26.8 p90 -176.27 177.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 7.8 pt-20 -148.99 144.8 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.55 89.35 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.6 83.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.9 t0 -56.73 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' ILE . 8.4 pt -71.72 -24.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.29 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.443 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 20.5 mmt -68.53 -44.64 74.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.7 m -109.88 114.49 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.58 -55.2 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 2.6 tt0 -40.92 -61.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 89.3 mm-40 -37.63 -54.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -56.2 -52.01 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -51.89 -56.58 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 48.5 t90 -48.81 -50.87 32.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 107.972 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.7 ttp -48.83 -47.57 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 6.0 m-30 -66.43 -9.02 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -100.38 -7.63 24.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.594 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -123.66 35.05 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 71.9 t -149.06 116.01 3.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -75.04 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.71 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.99 -23.87 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 13.8 mmtt -93.38 -32.21 14.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 18.4 mttt -39.46 134.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -75.02 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -56.36 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -171.39 164.71 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.57 -89.12 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 m120 -110.27 154.67 42.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' O ' ' CE1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.96 147.07 33.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -124.52 158.0 63.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 169.01 23.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.98 157.76 99.42 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.95 -0.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -139.94 85.09 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 HG21 ' CG2' ' A' ' 10' ' ' ILE . 2.8 mp -61.38 138.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 9.8 m-85 -147.69 109.73 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -80.63 89.37 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.54 -90.62 1.04 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -136.14 12.22 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.38 117.12 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.1 t80 -59.93 116.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.8 m -81.19 -75.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.6 152.61 7.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -71.84 178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.797 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 28.1 t80 -47.16 -33.93 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 6.0 m -67.36 -61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 2.4 t80 -37.88 -47.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.05 -50.63 67.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -17.45 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ASN . 28.3 m -97.43 -22.68 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -66.52 -61.46 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.59 -15.95 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 -9.59 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' SER . 9.3 m120 59.38 41.13 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.8 p -116.29 -2.63 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 102' ' ' LEU . 22.0 t -37.01 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.481 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 48.7 m-85 -46.82 -53.76 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -67.28 -44.3 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 3.7 t80 -51.64 -38.0 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 98' ' ' VAL . 0.6 OUTLIER -83.91 -26.71 29.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.14 46.07 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.27 57.48 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.82 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.58 89.99 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.22 -174.43 38.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 100.83 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.6 p -168.24 157.06 9.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 m -167.01 136.31 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.03 128.26 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.12 132.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.93 -163.37 34.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.44 155.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 -86.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.9 132.34 6.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.464 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 45.8 mtp -70.94 158.9 35.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 8' ' ' MET . 3.7 t -161.57 101.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' N ' ' HA ' ' A' ' 41' ' ' PHE . 33.8 mm -65.39 75.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.24 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' VAL . 54.7 t -88.02 126.79 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 5.3 m-30 -88.76 132.53 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.421 ' HB ' ' NE2' ' A' ' 27' ' ' GLN . 1.3 pp -133.33 150.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.97 80.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 44.1 p -38.97 -38.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -100.05 96.91 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 m -156.85 120.3 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -71.93 59.87 1.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 96.2 m-85 -163.58 83.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.04 -36.42 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.2 54.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 20' ' ' PHE . 93.9 mt -64.42 -43.21 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -54.0 -64.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -46.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 51.2 mttt -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' NE2' ' HB ' ' A' ' 14' ' ' ILE . 21.5 mt-30 -55.23 -38.7 68.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -69.01 -61.5 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -40.02 -33.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 31' ' ' VAL . 68.0 t -66.66 -87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -39.2 -55.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.7 mmt180 -37.3 -55.71 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -58.21 -44.8 88.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD11 ' CG ' ' A' ' 41' ' ' PHE . 10.5 mt -64.12 -46.56 83.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 17.4 mm-40 -60.71 -50.4 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -25.48 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.5 m-80 -106.43 11.87 30.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.8 mmmt 39.7 49.84 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.553 HD12 ' CE1' ' A' ' 99' ' ' PHE . 69.4 mt -91.4 154.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.0 mt-10 -72.76 127.34 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CG ' HD11 ' A' ' 34' ' ' LEU . 3.8 p90 -178.82 177.16 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 9.2 pt-20 -159.67 141.23 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.21 85.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 40.2 t -70.75 97.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' SER . 54.3 t0 -62.98 95.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 13' ' ' PHE . 5.9 pt -70.1 -28.82 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -49.62 68.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.455 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 16.9 mmt -81.93 -44.91 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 69.6 m -55.86 -40.93 73.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 68.99 -62.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.91 -39.93 83.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.433 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 23.7 mm-40 -62.9 -34.8 78.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -63.98 -68.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -41.1 -45.83 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 79.4 t90 -53.08 -52.72 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -48.92 -51.32 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -56.93 -15.09 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.97 -7.43 25.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -121.1 37.09 4.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 92.6 t -154.1 114.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.13 6.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.83 -23.22 66.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -100.08 -24.92 14.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -44.74 121.07 4.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.2 m -40.4 147.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 65.26 -173.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . -78.33 -93.02 0.29 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.3 p30 -39.54 147.08 0.33 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 137.75 22.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.077 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 mt -117.8 159.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.505 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.94 160.52 96.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.989 -0.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 38.7 mm-40 -137.02 69.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CG2' HD23 ' A' ' 102' ' ' LEU . 2.7 mp -44.94 137.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 20.3 m-85 -147.24 107.24 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -80.11 92.17 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 53.03 51.7 44.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 3.1 m-20 86.27 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -56.34 113.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.92 116.54 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.9 m -90.15 -75.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.18 151.62 6.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -65.25 175.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 19.5 t80 -45.04 -48.54 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -51.57 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -55.04 -60.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.7 t80 -45.65 -58.94 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -52.79 -53.53 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -42.64 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -19.87 58.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 1.8 ttpp -67.92 -49.15 63.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -57.45 -27.47 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.14 8.76 42.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 45.48 57.49 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.3 p -127.84 3.63 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -38.03 -49.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 39' ' ' ILE . 47.6 m-85 -52.78 -54.12 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.89 87.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -54.76 -36.84 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.486 HD23 ' CG2' ' A' ' 76' ' ' ILE . 2.6 mt -84.72 -17.62 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 16.2 22.24 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' PHE . 20.0 mt -83.94 137.74 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 tttt 58.35 96.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.5 t 176.41 79.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.62 -152.11 18.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 64.32 6.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.758 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -147.72 142.08 26.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.1 t 56.08 166.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -126.62 110.71 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m 59.1 90.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.75 -167.67 1.56 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.579 1.174 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 p -89.82 131.94 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -136.96 89.44 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.52 149.97 51.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 mtp -99.59 119.34 37.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -81.36 109.17 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' CD1' ' ND2' ' A' ' 78' ' ' ASN . 27.6 mm -76.89 79.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' PHE . 99.3 mtt180 -57.52 108.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 84.8 t -105.98 121.3 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.592 ' CD2' ' CG2' ' A' ' 46' ' ' ILE . 3.2 m-85 -81.68 136.21 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.89 150.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 86.73 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.25 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -111.09 110.61 21.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CB ' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -162.18 111.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.22 -54.78 1.57 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -61.83 125.57 24.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -87.79 -43.13 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.7 -36.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 96.0 mt -64.14 -53.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -42.88 -62.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.3 mptp? -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 71.3 mttt -42.17 -57.11 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 13.6 mt-30 -45.82 -40.83 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.9 mt-30 -68.36 -67.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -38.79 -30.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' GLN . 44.5 t -70.26 -73.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 2.3 m -54.9 -50.34 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.4 mmt180 -39.84 -54.74 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CE1' HG13 ' A' ' 98' ' ' VAL . 39.3 t80 -56.73 -50.14 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' LYS . 19.0 mt -57.65 -47.89 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.85 -49.71 76.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -103.31 9.2 38.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 43.59 43.19 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.547 HD12 ' CE1' ' A' ' 99' ' ' PHE . 68.0 mt -90.76 148.9 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 132.55 44.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' HA ' ' N ' ' A' ' 10' ' ' ILE . 4.3 p90 -179.79 174.72 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.18 150.31 28.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.9 88.62 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.536 HG12 ' CE1' ' A' ' 13' ' ' PHE . 92.4 t -68.44 83.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.23 104.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.592 ' CG2' ' CD2' ' A' ' 13' ' ' PHE . 9.4 pt -85.36 -21.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -63.19 -49.34 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 mmt -78.65 -53.79 6.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.2 m -83.58 91.91 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.62 -51.72 62.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -39.46 -61.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -43.86 -53.85 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -49.87 -64.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 71.2 mm-40 -44.01 -52.76 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 90.6 t90 -47.81 -54.87 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.9 ttp -46.61 -54.53 9.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.83 -17.19 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -99.15 -16.39 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -114.12 45.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 56.2 t -156.21 115.96 2.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.47 -21.81 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -96.84 -32.4 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mttt -41.81 130.34 2.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.97 -86.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -103.04 96.17 6.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.21 -115.54 0.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 24.7 p30 -86.36 157.47 56.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.88 34.63 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.4 158.87 71.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.535 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.03 169.93 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.535 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 158.57 98.91 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.029 -0.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -140.28 88.7 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.487 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.2 mp -63.32 149.96 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 82' ' ' TYR . 14.6 m-85 -158.27 120.51 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.54 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 1.8 m120 -88.46 104.51 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 40.72 60.53 2.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.9 t70 85.66 -43.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 137.71 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CD1' ' CE1' ' A' ' 77' ' ' PHE . 5.9 t80 -88.95 133.3 34.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.95 -72.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.15 165.15 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.84 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' A' ' 90' ' ' PHE . 55.9 t80 -49.91 -51.76 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -39.32 -64.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 2.1 m -50.6 -59.66 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 92.7 t80 -46.47 -58.13 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.598 ' CD2' ' OH ' ' A' ' 86' ' ' TYR . 26.1 t80 -56.79 -43.99 81.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.2 -14.04 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ASN . 15.6 m -98.6 -46.45 5.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -45.71 -38.57 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.6 -40.95 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . 28.3 t -101.97 7.66 41.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.2 t-20 54.36 46.8 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.5 p -106.57 1.26 25.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 33' ' ' PHE . 2.1 t -34.95 -55.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 39' ' ' ILE . 96.2 m-85 -51.08 -52.64 41.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.0 m -65.9 -38.84 89.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.5 t80 -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -99.99 18.06 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.62 23.29 58.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 102' ' ' LEU . 14.8 mt -87.83 140.8 29.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER 50.8 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 t 54.99 88.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.18 -156.28 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.79 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.6 m -74.02 124.84 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.5 t -109.22 84.96 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -144.15 -58.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.87 97.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.76 120.4 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 p -103.5 134.0 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 176.09 152.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.22 -179.17 21.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.497 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 16.8 mtm -104.56 163.99 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 8' ' ' MET . 3.2 t -163.47 101.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' CG2' HG21 ' A' ' 76' ' ' ILE . 37.7 mm -66.25 77.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' VAL . 96.3 mtt180 -55.0 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -95.85 114.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.4 m-30 -81.03 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.2 pp -136.72 149.79 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.66 90.95 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -67.82 68.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' ALA . 3.4 t -176.44 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -39.01 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -47.44 -27.38 4.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CD2' HD13 ' A' ' 23' ' ' ILE . 3.5 m-85 -62.38 81.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.4 p -44.63 -38.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.79 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 20' ' ' PHE . 90.2 mt -58.88 -37.38 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -31.57 65.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -69.93 -46.1 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -60.08 -48.09 83.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.7 mt-30 -44.23 -35.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.4 mt-30 -70.27 -66.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.85 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLN . 70.7 t -69.67 -73.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.9 m -56.37 -50.0 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.1 mmt180 -37.86 -52.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -59.97 -44.81 94.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 41' ' ' PHE . 9.0 mt -64.28 -47.68 78.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 32.9 mm-40 -60.17 -49.5 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.25 -24.78 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.6 m-80 -106.2 12.89 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.5 50.82 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.421 HD12 ' CE1' ' A' ' 99' ' ' PHE . 77.8 mt -94.53 151.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 8' ' ' MET . 5.3 mt-10 -71.86 130.35 40.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' CG ' HD11 ' A' ' 34' ' ' LEU . 4.1 p90 -178.59 173.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -153.31 143.71 22.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.52 86.8 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 90.9 t -70.07 85.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -56.09 92.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' ILE . 32.0 pt -67.26 -16.06 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.36 -30.65 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 mmt -99.95 -48.57 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.39 -41.11 96.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.8 tt0 66.55 -72.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.5 tm-20 -40.27 -46.13 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -62.12 -42.65 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.1 ttt180 -49.45 -64.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-30 -45.21 -51.91 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 33.9 t90 -49.62 -47.21 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.5 ttp -54.42 -45.47 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.2 m-85 -66.05 -8.94 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -103.07 -9.66 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.5 m-80 -121.29 43.66 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 76.7 t -156.04 116.01 2.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -74.94 168.61 24.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.08 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.21 -10.72 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.2 mmmt -107.76 -30.74 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.8 mttt -39.15 123.15 1.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' THR . 18.3 Cg_endo -75.01 164.54 33.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' PRO . 52.2 m 38.09 -102.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -177.71 124.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . 114.32 82.46 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 91.1 m-20 58.77 157.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.54 158.43 36.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.99 169.7 22.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.533 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 160.47 96.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.02 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -140.72 83.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.481 HG21 ' CG2' ' A' ' 10' ' ' ILE . 3.1 mp -59.95 142.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -152.43 118.24 5.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.9 t-20 -86.74 86.47 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.11 62.4 6.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER 84.23 -43.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -49.86 121.7 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.5 t80 -72.16 111.47 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.77 -68.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.98 160.47 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 85' ' ' ASP . 43.5 p30 -79.72 178.64 8.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 21.5 t80 -42.01 -45.74 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.91 -54.64 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -56.19 -57.84 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 83.4 t80 -44.26 -56.67 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -56.28 -55.49 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.0 -48.53 21.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 -26.97 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.17 -22.19 60.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 t -103.8 3.97 34.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 52.05 44.43 29.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 98' ' ' VAL . 22.0 p -115.02 4.11 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 102' ' ' LEU . 3.0 t -37.12 -50.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 39' ' ' ILE . 62.0 m-85 -53.48 -50.32 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' THR . 19.9 m -70.29 -38.38 75.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.7 OUTLIER -53.41 -38.92 63.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.82 -23.66 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.2 43.86 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 41.0 mt -101.76 -107.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 tttt 63.3 122.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.13 92.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.402 ' HA2' ' HD3' ' A' ' 108' ' ' PRO . . . -151.91 134.13 4.45 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.402 ' HD3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.9 -35.7 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.85 109.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.037 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.92 131.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.5 -59.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -136.57 109.26 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.42 -179.57 23.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 60.01 151.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -163.55 -60.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 134.61 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 14.8 mtm -99.2 122.0 41.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.37 114.14 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 102' ' ' LEU . 32.0 mm -77.97 78.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 93.7 mtt180 -56.5 98.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.9 t -95.63 97.9 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.56 136.58 56.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -140.78 161.95 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -132.45 87.0 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.6 t -37.31 -83.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -61.38 80.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' SER . 29.3 t -131.3 108.1 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.37 84.46 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CG ' ' CD1' ' A' ' 23' ' ' ILE . 20.9 m-85 -154.79 -46.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 80.62 -53.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' N ' ' CG1' ' A' ' 21' ' ' VAL . . . -58.14 -47.4 83.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.552 ' CD1' ' CG ' ' A' ' 20' ' ' PHE . 91.8 mt -48.43 -48.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -46.9 -63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.5 -58.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 86' ' ' TYR . 91.1 mttt -51.92 -55.32 20.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.6 -36.48 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.0 mt-30 -73.22 -66.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.5 t70 -36.41 -34.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 70.0 t -62.96 -88.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' CG2' ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -50.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' VAL . 14.3 mmt180 -37.45 -56.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.57 -46.04 77.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 41' ' ' PHE . 12.7 mt -59.16 -54.2 49.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.6 mm-40 -56.68 -51.89 67.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.4 -24.36 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -102.59 10.19 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.86 49.35 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 99' ' ' PHE . 81.6 mt -100.85 148.62 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 8' ' ' MET . 2.1 pt-20 -84.3 136.24 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CZ ' ' CG2' ' A' ' 31' ' ' VAL . 46.1 p90 -170.65 -173.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.8 pt-20 -155.97 143.75 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.75 84.92 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.9 t -67.58 93.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 49' ' ' SER . 46.2 t0 -65.47 97.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 53' ' ' ARG . 2.1 pt -67.84 -37.82 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -49.27 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.71 -52.04 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m -54.25 -39.71 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 67.05 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -46.25 -54.33 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -50.63 -46.13 58.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 47.3 ttt180 -50.6 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -42.72 -54.51 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 62.2 t90 -52.0 -51.93 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 45.2 ttp -49.71 -48.4 49.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.4 m-30 -62.3 -11.86 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -99.97 -7.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.97 38.89 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 71' ' ' PRO . 53.7 t -150.34 116.31 3.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.71 22.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.37 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.447 1.761 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.73 -19.3 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' LYS . 27.4 mmtt -98.52 -31.93 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LYS . 32.0 mttt -39.94 132.5 1.48 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -166.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -96.44 135.97 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.73 -97.67 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -114.68 164.03 17.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.97 147.98 34.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.542 ' CD1' ' CZ ' ' A' ' 20' ' ' PHE . 72.8 mt -126.11 158.66 65.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.529 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.97 169.17 23.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.95 158.78 98.78 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.024 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -140.49 89.43 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CG2' HD21 ' A' ' 102' ' ' LEU . 2.0 mp -63.2 140.55 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.543 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 10.6 m-85 -154.1 112.44 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 26.6 t-20 -86.71 100.43 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.32 -93.16 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.99 14.92 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 120.27 41.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 4.3 t80 -61.13 121.49 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 85.1 m -94.25 -74.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.299 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.3 164.94 23.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -87.55 -173.43 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 51.0 t80 -48.41 -35.69 13.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.69 -52.4 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -64.71 -62.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CZ ' ' CE ' ' A' ' 93' ' ' LYS . 3.1 t80 -37.55 -44.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.94 -45.81 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.5 mt-10 -62.46 -15.07 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ASN . 39.3 m -98.34 -25.2 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CE ' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -67.66 -58.01 5.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -53.56 -24.59 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.98 -19.29 18.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 7.5 t-20 71.96 48.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 6.8 p -124.58 0.1 8.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 97' ' ' THR . 6.5 t -34.93 -56.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 39' ' ' ILE . 66.5 m-85 -48.24 -51.45 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.4 t -68.31 -40.68 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 2.6 t80 -55.76 -35.85 66.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 98' ' ' VAL . 0.4 OUTLIER -85.4 -22.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.02 37.15 4.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 106' ' ' SER . 91.4 mt -97.11 -107.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 66.92 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -38.86 109.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 56.67 161.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.86 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 m -39.38 105.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.64 -58.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.22 95.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -130.51 -55.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.22 -165.44 1.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -153.56 130.59 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.63 144.71 41.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.13 140.07 15.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mtm -92.91 120.07 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 ' CG2' HG22 ' A' ' 76' ' ' ILE . 27.6 mm -78.1 77.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -57.44 108.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 44' ' ' VAL . 77.9 t -106.3 123.68 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE1' HG11 ' A' ' 44' ' ' VAL . 3.5 m-30 -85.03 130.73 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 148.81 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' C ' ' N ' ' A' ' 17' ' ' SER . . . -118.28 85.09 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.0 t -39.05 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.71 -81.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -162.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -154.8 31.14 0.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 10.2 m-85 -156.69 94.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -43.31 -28.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 20' ' ' PHE . . . -62.83 -49.48 74.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG2' ' OE1' ' A' ' 27' ' ' GLN . 28.6 mt -57.87 -41.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -36.06 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -63.75 -46.38 85.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 63.3 mttt -61.39 -48.88 79.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' OE1' ' CG2' ' A' ' 23' ' ' ILE . 16.3 mt-30 -44.57 -34.27 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.7 mt-30 -69.91 -69.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.8 t0 -39.11 -30.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' GLN . 70.8 t -67.3 -65.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 32' ' ' ARG . 1.3 m -64.49 -49.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.7 mmt180 -40.37 -53.25 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 98' ' ' VAL . 40.8 t80 -55.9 -50.0 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' LYS . 20.6 mt -58.07 -49.01 78.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.91 -49.18 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.57 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -101.96 10.04 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 22.2 mmmt 43.49 40.82 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.553 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 66.9 mt -87.89 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.45 134.11 43.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -179.29 174.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -153.25 141.93 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 85.28 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG11 ' CE1' ' A' ' 13' ' ' PHE . 74.0 t -67.31 84.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -55.43 102.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 pt -77.42 -33.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.56 85.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.51 -50.19 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -101.94 112.22 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.61 -49.26 75.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -43.08 -58.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -47.14 -47.57 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' MET . 3.1 ttt180 -55.54 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -39.52 -51.22 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 79.8 t90 -46.1 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ASN . 61.5 ttp -53.73 -54.06 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -53.11 -18.32 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -96.78 -19.85 18.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' N ' HD21 ' A' ' 59' ' ' ASN . 1.4 m-80 -108.62 39.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 59' ' ' ASN . 80.8 t -155.95 115.63 2.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.55 22.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.89 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.59 -16.01 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -103.7 -29.87 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -39.92 119.96 1.44 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 67' ' ' THR . 18.1 Cg_endo -75.03 176.97 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 66' ' ' PRO . 35.7 m 36.85 -100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -164.63 128.21 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.3 -161.27 19.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.9 p30 -42.6 156.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.455 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.91 138.76 23.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -119.42 158.41 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 169.13 23.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 156.98 99.89 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.992 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.598 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 9.5 mm-40 -140.45 76.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.491 HG22 ' CG2' ' A' ' 10' ' ' ILE . 2.5 mp -51.96 150.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 34.3 m-85 -155.73 108.1 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -81.04 93.35 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.49 56.36 22.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER 83.31 -35.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.477 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 3.6 ttt180 -51.5 127.07 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.07 86.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.611 ' SG ' ' CZ ' ' A' ' 101' ' ' PHE . 50.9 t -57.45 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.16 160.21 14.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -75.08 -178.67 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 24.8 t80 -51.37 -43.16 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -56.12 9.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -53.04 -59.42 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 50.7 t80 -44.63 -55.93 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -56.42 -53.19 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -49.06 14.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -73.07 -29.37 62.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.56 -46.96 85.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -2.6 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.3 t-20 60.16 53.29 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 17.9 p -124.3 4.36 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 89' ' ' PHE . 2.6 t -36.19 -53.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.553 ' CZ ' HD13 ' A' ' 39' ' ' ILE . 63.8 m-85 -50.88 -50.46 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t -69.54 -40.11 77.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -53.09 -34.64 57.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -89.76 -23.12 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.45 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.0 mt -93.59 -106.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 63.84 163.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 m 63.23 91.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.05 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.89 155.67 0.43 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m 59.88 89.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -145.95 112.97 6.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 102' ' ' LEU . 30.4 mm -76.71 78.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 96.5 mtt180 -57.97 102.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG22 ' CG1' ' A' ' 76' ' ' ILE . 31.6 t -96.64 112.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.1 m-30 -76.61 129.39 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -134.47 143.07 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -115.6 81.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' ALA . 5.7 t -38.51 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -120.98 86.09 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -114.87 -53.46 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.97 -58.23 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.86 101.34 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.28 -39.69 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.3 -47.57 13.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' OE1' ' A' ' 27' ' ' GLN . 56.6 mt -54.36 -44.72 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.72 5.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -52.07 13.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.6 mttt -50.98 -48.98 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.731 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -55.7 -35.69 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.0 mt-30 -69.33 -66.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -38.54 -31.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 26' ' ' LYS . 78.8 t -68.53 -74.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -52.79 -47.76 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 13.3 mmt-85 -44.48 -56.66 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -51.79 -50.55 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 39' ' ' ILE . 23.5 mt -56.15 -51.36 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.87 -50.52 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.85 66.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -101.75 7.3 41.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 49.86 41.53 22.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 88.6 mt -94.79 144.5 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.21 137.17 37.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -173.99 -179.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 11.3 pt-20 -150.93 142.53 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.99 90.47 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 55.5 t -72.08 94.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -64.01 91.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.703 HD12 ' HG3' ' A' ' 53' ' ' ARG . 44.5 pt -65.76 -29.02 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -47.61 82.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.13 -53.21 32.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -97.07 104.84 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.68 -51.24 61.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -44.22 -59.98 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' OE1' ' CG1' ' A' ' 44' ' ' VAL . 35.9 mm-40 -38.7 -50.8 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.703 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.7 ttp-105 -63.24 -55.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -47.57 -45.97 27.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 73.2 t90 -53.87 -58.01 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.413 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 12.4 tmm? -46.36 -50.39 16.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.5 m-30 -56.81 -15.38 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -99.64 -12.37 20.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.1 m-80 -118.83 44.17 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.5 t -155.18 115.66 2.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.65 8.95 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 28.1 mmtt -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 30.6 mttt -39.84 120.15 1.43 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 68.3 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.792 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 136.07 19.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 mt -114.6 158.47 40.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.0 23.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 160.22 96.87 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.984 0.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.2 mm-40 -140.23 73.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.94 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -51.17 141.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 18.8 m-85 -148.38 110.72 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 34.4 t-20 -85.55 98.51 10.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.12 -91.7 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.78 13.86 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 127.66 53.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -66.15 105.35 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 m -70.79 -75.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.9 150.25 5.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -69.31 -178.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 29.9 t80 -49.08 -35.14 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -50.73 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.87 -60.19 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.4 t80 -45.21 -59.66 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 4.8 t80 -51.4 -50.33 59.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.68 -16.35 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HG ' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -94.84 -44.93 7.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 6.5 mtmp? -47.06 -40.85 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.4 -33.14 70.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 92' ' ' SER . 23.3 t -100.9 -1.56 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.7 t-20 57.23 45.81 19.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 p -115.83 8.82 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.499 ' N ' ' HG ' ' A' ' 92' ' ' SER . 2.1 t -41.22 -44.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 64.8 m-85 -56.86 -54.5 45.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -67.05 -31.81 72.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -61.8 -33.75 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.94 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.0 mt -89.6 -22.03 22.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.51 33.56 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.281 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 42' ' ' GLU . 2.5 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.776 HG21 HD22 ' A' ' 102' ' ' LEU . 35.0 mm -77.23 82.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 48.1 mtm180 -61.47 95.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.0 t -88.93 108.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.7 m-30 -76.53 125.1 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.437 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.2 pp -132.5 150.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.89 87.88 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.8 t -37.93 -82.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' SER . 48.6 p -111.13 -49.37 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -63.16 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.43 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.2 -34.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.52 -47.97 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PRO . 61.4 mt -54.66 -53.01 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -43.33 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -39.83 -47.26 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.8 mttt -63.51 -52.82 59.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 29.0 mt-30 -52.24 -28.32 18.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 30' ' ' VAL . 1.9 mm100 -79.67 -60.1 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.2 t0 -40.17 -30.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.5 t -67.0 -89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.831 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.28 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 mmt180 -37.63 -55.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 23.3 t80 -57.33 -45.91 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -62.22 -50.6 71.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 53.3 mm-40 -58.68 -49.69 76.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -23.84 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -102.01 5.76 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 51.01 47.64 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 96.8 mt -98.9 149.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.58 136.98 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.831 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 36.0 p90 -174.54 -176.64 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 9.3 pt-20 -154.43 141.26 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 88.38 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 41.1 t -70.09 91.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.411 ' OD1' ' HB ' ' A' ' 47' ' ' THR . 19.3 t0 -62.45 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.786 HD12 ' HG3' ' A' ' 53' ' ' ARG . 14.9 pt -60.73 -20.99 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 ' HB ' ' OD1' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -64.89 -48.44 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.42 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.6 mmt -71.41 -57.64 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 m -86.53 103.29 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.11 -55.26 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -41.05 -58.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -41.33 -50.18 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD12 ' A' ' 46' ' ' ILE . 34.3 ttt180 -61.62 -56.8 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -46.23 -46.78 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 88.3 t90 -51.77 -56.46 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -48.39 -51.54 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.5 m-30 -55.64 -15.68 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.07 -17.01 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.624 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.1 m-80 -112.37 42.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.3 t -155.27 115.32 2.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.62 22.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.81 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.51 -10.27 59.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -110.68 -26.5 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -40.25 118.77 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.91 131.32 14.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -111.04 158.76 34.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 169.64 22.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.93 161.78 94.13 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.023 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -140.85 79.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.079 HG21 HD23 ' A' ' 102' ' ' LEU . 3.4 mp -51.84 135.9 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 11.4 m-85 -147.17 107.46 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 33.5 t-20 -80.56 89.94 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 77.56 -91.76 1.07 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -137.56 13.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 119.01 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -59.56 111.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.0 m -84.87 -64.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.7 162.41 11.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -83.02 179.6 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 29.1 t80 -41.72 -45.16 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.17 -57.48 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 88.6 t80 -51.25 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -47.43 -54.82 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -45.35 34.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -73.51 -23.51 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -63.99 -46.61 83.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.68 -27.49 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 -0.74 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 55.97 55.92 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.4 p -125.81 2.34 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.8 t -37.68 -54.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 104' ' ' LEU . 48.0 m-85 -48.28 -52.19 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -44.53 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.4 t80 -47.69 -37.22 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.079 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -83.59 -27.21 29.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.93 32.4 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 102' ' ' LEU . 32.2 mm -76.47 79.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 97.7 mtt180 -59.27 96.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 97.0 t -91.54 116.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -82.36 131.24 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.815 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -138.92 149.27 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.38 89.4 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -40.14 -29.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.5 m -104.3 73.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.8 p -123.24 88.69 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.51 -29.89 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-85 -77.58 94.83 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.32 -44.44 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.89 -46.46 10.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.944 HG22 ' OE1' ' A' ' 27' ' ' GLN . 65.3 mt -56.85 -51.59 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.0 -56.92 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 1.7 mttt -40.34 -49.9 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -57.66 -54.52 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.944 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.9 mt-30 -44.05 -39.11 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.9 mt-30 -68.58 -65.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -36.71 -35.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.8 t -63.8 -88.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.11 -53.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.2 mmt180 -37.37 -59.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -56.53 -46.86 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 31' ' ' VAL . 14.3 mt -59.01 -49.66 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 5.5 mm-40 -60.71 -49.69 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' CB ' HG13 ' A' ' 39' ' ' ILE . 22.9 m-80 -104.83 14.67 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 42.49 49.89 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.329 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.0 mt -100.04 146.36 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -81.41 135.74 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -173.52 179.09 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 5.9 pt-20 -149.62 143.66 25.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.63 90.86 7.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 59.0 t -71.11 85.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -58.38 96.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' HG3' ' A' ' 53' ' ' ARG . 29.9 pt -69.02 -34.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -50.78 72.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.42 -54.22 43.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 m -99.4 114.79 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.98 -57.85 10.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -60.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -38.45 -53.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' HD12 ' A' ' 46' ' ' ILE . 3.0 ttp180 -58.64 -52.73 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -50.04 -44.23 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.652 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 82.8 t90 -54.34 -59.83 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 107.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 tmm? -46.07 -51.12 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.44 -16.25 2.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -100.15 -15.81 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.652 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.1 m120 -112.98 39.21 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 71' ' ' PRO . 87.5 t -156.7 115.67 2.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.35 8.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.84 -31.2 70.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.6 mmtt -88.53 -29.58 19.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.45 123.85 1.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.01 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.95 158.42 31.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 168.5 24.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 167.51 80.25 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.028 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -144.8 73.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.893 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -50.11 137.73 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -145.8 106.83 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -77.17 83.94 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.6 -93.24 1.56 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.24 16.96 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.31 134.29 53.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 60' ' ' VAL . 7.4 t80 -69.57 120.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.1 m -88.89 -70.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.41 149.17 5.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.05 178.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 19.6 t80 -47.59 -43.65 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.89 -55.72 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.4 m -49.54 -57.82 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.1 t80 -46.27 -61.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.07 -55.75 16.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -47.08 -45.08 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -30.37 65.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -57.04 -49.69 75.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -57.66 -27.77 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -99.43 6.77 45.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 47.12 55.35 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' SER . 3.2 p -127.52 3.33 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 4.4 t -36.83 -50.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 31.9 m-85 -52.66 -51.5 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 t -68.74 -38.65 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.2 t80 -54.58 -37.91 66.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.893 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -84.82 -25.31 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.0 38.66 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.796 HG22 HG23 ' A' ' 12' ' ' VAL . 31.9 mm -78.07 85.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 31.2 mtm105 -65.13 87.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.796 HG23 HG22 ' A' ' 10' ' ' ILE . 71.7 t -86.95 118.18 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' HD2' HG21 ' A' ' 46' ' ' ILE . 4.8 m-85 -77.65 135.68 38.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.3 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.54 87.47 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -38.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.652 ' H ' HG21 ' A' ' 47' ' ' THR . 1.2 t -74.65 83.68 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -72.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.71 -30.69 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.614 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.7 m-85 -94.92 93.46 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 p -49.17 -36.06 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.5 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.876 HG22 ' OE1' ' A' ' 27' ' ' GLN . 61.1 mt -53.83 -43.54 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -59.64 -53.23 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -50.76 28.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.6 mttt -53.37 -47.98 68.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.876 ' OE1' HG22 ' A' ' 23' ' ' ILE . 12.1 mt-30 -53.49 -36.42 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 30.2 mt-30 -68.35 -69.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -38.59 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' LYS . 74.1 t -68.24 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.1 m -56.71 -49.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mmt-85 -40.41 -53.55 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.43 -51.22 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 39' ' ' ILE . 21.1 mt -56.37 -52.7 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -55.93 -51.39 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.42 -21.53 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -101.78 4.06 40.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' LEU . 42.1 mmtt 55.15 32.4 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.649 HG21 HD22 ' A' ' 34' ' ' LEU . 61.4 mt -83.13 146.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -81.99 136.48 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -175.24 177.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.38 138.78 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE2' HG11 ' A' ' 31' ' ' VAL . 16.3 mt-10 -89.16 80.03 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.41 97.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.4 t0 -68.46 107.12 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.647 HD11 ' HG3' ' A' ' 73' ' ' PRO . 8.2 pt -85.79 -36.56 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.652 HG21 ' H ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 -31.45 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.437 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 13.7 mmt -87.2 -49.71 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -99.76 95.16 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.0 -51.43 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -57.47 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -44.24 -46.39 8.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -58.63 -64.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -43.95 -56.07 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 42.4 t90 -47.68 -46.07 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 31.7 ttp -58.45 -44.14 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.11 -8.93 26.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -102.83 -10.93 18.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -117.36 39.3 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 71' ' ' PRO . 77.2 t -155.88 115.88 2.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.94 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -74.95 -28.36 9.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.72 -9.25 58.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.3 mmmt -111.44 -27.48 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.5 mttt -39.24 117.77 1.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.695 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -117.81 158.51 45.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.697 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.08 169.0 23.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 158.76 98.8 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.996 0.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -140.7 84.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.953 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -57.8 140.92 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.7 m-85 -153.56 108.55 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.4 t-20 -82.43 95.64 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 76.45 -91.68 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -138.15 14.05 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 130.98 54.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.8 t80 -68.04 118.78 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 76' ' ' ILE . 55.7 m -86.63 -68.41 0.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.47 155.79 7.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.64 -177.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 0.821 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 2.5 t80 -52.09 -39.1 59.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -57.31 -52.69 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 73.6 t80 -46.93 -60.31 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.29 -52.64 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.65 -50.57 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 1.2 m -71.29 -25.14 62.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 3.7 ttpp -62.37 -48.37 80.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -59.58 -27.81 66.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 97' ' ' THR . 21.1 t -100.9 7.17 43.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 49.43 57.56 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' SER . 53.6 p -128.02 3.15 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 102' ' ' LEU . 4.2 t -37.54 -53.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 49.6 m-85 -48.89 -51.37 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -43.4 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -49.28 -39.88 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.953 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.94 -21.34 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.87 49.51 1.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 99' ' ' PHE . 71.7 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.8 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 102' ' ' LEU . 33.6 mm -65.85 74.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' VAL . 91.9 mtt180 -51.8 103.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.8 t -98.47 112.38 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.3 m-85 -77.78 132.81 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.89 149.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . . . -125.86 77.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -65.66 73.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.4 t -176.87 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' SER . 27.6 t -39.42 145.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.43 46.15 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 23' ' ' ILE . 14.9 m-85 -138.87 84.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.46 -32.32 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.07 66.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.028 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.1 mt -68.63 -37.45 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -56.99 -63.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.66 -53.92 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 45.2 mttt -51.86 -54.02 33.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 1.028 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -47.61 -42.85 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.5 mt-30 -67.4 -63.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.59 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' VAL . 47.3 t -73.09 -88.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.894 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -38.97 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.5 mmt180 -38.16 -54.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -59.87 -45.14 93.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -61.86 -46.22 90.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.9 mm-40 -62.77 -48.81 77.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.85 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 48.5 m-80 -104.81 11.35 33.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.3 mmtt 39.13 53.08 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.39 155.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 127.47 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.894 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.3 p90 -178.91 178.75 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 4.2 pt-20 -159.43 154.06 24.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.46 79.14 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.56 93.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -62.36 110.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 73' ' ' PRO . 4.7 pt -92.19 -21.31 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -36.76 81.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmt -89.85 -47.88 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -92.31 90.72 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.76 -47.87 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.56 -56.29 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -48.41 -49.96 32.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -46.42 -59.22 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -44.86 -49.84 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.418 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 24.2 ttp -57.01 -41.88 79.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.3 m-30 -71.24 -3.97 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -106.24 -10.87 16.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.437 ' C ' HG23 ' A' ' 60' ' ' VAL . 4.4 m120 -118.46 35.0 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 71' ' ' PRO . 93.8 t -153.24 115.64 2.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.59 16.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.34 7.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.39 -15.79 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.9 mmtt -102.05 -32.14 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 26.6 mttt -39.47 124.4 1.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 123.8 8.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -105.81 158.23 32.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.623 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 158.87 98.69 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.951 -2.521 . . . . 0.0 111.003 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.24 82.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.814 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -59.04 135.86 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -148.28 110.59 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.2 t-20 -81.02 84.33 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.99 -93.13 1.67 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 7.7 t0 -133.12 11.13 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -110.02 127.13 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.8 t80 -67.15 126.7 30.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.553 ' HB2' HG22 ' A' ' 76' ' ' ILE . 1.9 m -94.35 -65.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.42 155.68 8.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 58.1 p30 -78.49 176.77 9.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 16.0 t80 -44.85 -30.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.426 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 2.0 t0 -61.33 -45.61 93.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -66.3 -52.0 51.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 79.1 t80 -47.04 -58.77 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -55.02 -52.24 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.86 -51.62 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -70.69 -25.33 62.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.85 -45.62 88.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.4 -29.94 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 97' ' ' THR . 8.5 t -101.67 6.48 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 52.32 59.42 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 21.4 p -127.98 4.37 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -38.19 -50.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LEU . 46.8 m-85 -52.21 -53.82 38.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -37.83 85.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -56.71 -33.57 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.814 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -95.92 8.95 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.74 41.86 81.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' PHE . 14.3 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.9 mm -70.78 74.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 92.1 mtt180 -48.09 103.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ILE . 85.7 t -101.45 98.83 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 136.4 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -141.49 152.0 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -124.7 85.87 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' SER . 1.4 t -37.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -62.3 81.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' SER . 19.5 t -112.31 -60.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.82 -63.03 0.62 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.44 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.93 -30.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.52 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 73' ' ' PRO . 68.1 mt -53.32 -48.52 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -63.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -45.21 -55.65 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.2 mttt -51.66 -52.76 45.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 31' ' ' VAL . 28.5 mt-30 -49.53 -36.17 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 14.4 mt-30 -71.27 -68.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.9 t0 -38.65 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 26' ' ' LYS . 51.4 t -65.01 -65.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -65.03 -49.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 10.9 mmt-85 -39.32 -50.99 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 98' ' ' VAL . 31.9 t80 -59.17 -50.54 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LYS . 16.1 mt -57.82 -47.49 82.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.8 mm-40 -59.56 -48.82 80.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.57 -22.76 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 31.8 m-80 -102.46 9.28 39.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER 44.8 49.7 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 99' ' ' PHE . 80.1 mt -102.11 145.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 2.0 mp0 -71.73 141.33 49.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 8.3 p90 179.06 172.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.575 ' OE1' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -150.26 139.25 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -85.86 79.78 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 ' OE1' ' A' ' 42' ' ' GLU . 69.5 t -66.24 93.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -64.68 95.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 8.3 pt -68.08 -34.74 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -46.43 85.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 mmt -70.15 -55.08 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 103.33 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.34 -56.66 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -40.62 -62.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 24.6 mm-40 -38.0 -55.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.6 ttp-105 -55.29 -53.11 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -49.61 -55.1 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 58.4 t90 -51.61 -49.32 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.5 ttp -54.35 -44.29 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.6 m-30 -66.42 -8.67 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -103.59 -9.99 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.4 m-80 -118.23 36.72 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.1 t -151.83 115.71 3.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -29.08 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.73 -19.0 64.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.8 mmtt -101.62 -30.59 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.6 mttt -40.33 120.51 1.6 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 5.9 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 122.91 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.3 158.56 31.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.96 169.36 22.8 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.03 158.43 98.98 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.96 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.51 88.42 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.963 HG21 HD23 ' A' ' 102' ' ' LEU . 3.6 mp -63.08 138.94 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.8 m-85 -149.99 110.02 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 27.5 t-20 -85.64 99.56 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.36 -94.2 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -135.31 11.69 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.51 126.87 52.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 5.9 t80 -67.74 117.1 9.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.0 -66.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.05 157.09 8.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 15.9 p-10 -71.37 -176.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 t80 -52.48 -38.35 59.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -50.9 65.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.49 -52.51 65.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.8 t80 -47.76 -59.8 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 3.2 t80 -53.44 -53.69 47.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.94 -50.94 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.5 OUTLIER -71.17 -25.45 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -63.58 -43.11 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.04 -32.14 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.23 7.2 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 53.0 60.89 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -126.43 1.5 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 33' ' ' PHE . 2.7 t -36.74 -55.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 39' ' ' ILE . 62.4 m-85 -48.58 -51.3 28.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -69.14 -39.82 78.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -55.48 -36.72 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.963 HD23 HG21 ' A' ' 76' ' ' ILE . 1.1 mt -81.66 -23.51 36.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.08 34.28 2.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 99' ' ' PHE . 7.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.9 mm -75.06 78.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 94.1 mtt180 -58.16 101.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.1 t -98.78 117.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.5 m-30 -80.58 132.12 35.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -135.54 147.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -118.72 83.62 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.51 -30.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -112.77 116.23 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.92 115.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.01 -68.28 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 23' ' ' ILE . 82.2 m-85 -42.98 105.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.36 -34.32 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.63 -43.83 26.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 27' ' ' GLN . 86.6 mt -50.74 -54.53 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.23 -64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.29 -54.92 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 43.1 mttt -50.24 -56.59 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.768 ' OE1' HG22 ' A' ' 23' ' ' ILE . 23.7 mt-30 -44.4 -41.24 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 3.6 mt-30 -69.52 -61.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -38.7 -31.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.1 t -71.18 -89.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.901 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.01 -50.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 29.2 mmt-85 -37.53 -54.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 17.5 t80 -59.0 -48.36 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.2 mt -57.86 -49.87 75.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 6.7 mm-40 -59.97 -48.02 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.34 -21.76 66.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 13.1 m-80 -100.98 -0.19 37.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 57.64 36.89 27.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 99' ' ' PHE . 74.7 mt -88.98 151.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.94 136.3 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.901 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 34.5 p90 -172.89 179.24 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 7.7 pt-20 -149.67 141.82 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.85 90.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 60.2 t -68.96 89.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.88 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 13' ' ' PHE . 11.6 pt -80.32 -16.64 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -41.36 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mmt -77.67 -51.92 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -94.64 118.7 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.33 -53.04 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -39.65 -62.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -38.88 -55.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -54.15 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -49.71 -45.63 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 69.7 t90 -53.33 -58.21 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.049 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 56' ' ' MET . 3.2 tmm? -46.09 -51.18 14.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -56.63 -16.2 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -99.3 -13.33 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -119.34 47.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.789 HG11 ' HB3' ' A' ' 71' ' ' PRO . 58.9 t -158.0 116.64 1.85 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.75 21.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.59 9.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.39 -23.53 63.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.1 mmtm -94.94 -32.17 13.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -39.39 119.51 1.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.789 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 134.36 17.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -117.49 158.76 44.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.582 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.08 169.47 22.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.553 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.94 162.82 92.06 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.022 -0.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 20.8 mm-40 -141.02 71.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.91 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -49.61 139.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 15.5 m-85 -147.88 109.6 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.8 t-20 -81.13 86.73 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 57.32 54.75 34.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 m-20 85.83 -38.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.05 109.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.501 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -59.67 108.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.0 m -82.57 -70.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.38 150.84 5.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -67.82 174.86 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 27.2 t80 -38.81 -45.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.43 -56.47 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 70.1 m -50.56 -55.69 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 77.1 t80 -49.65 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 93' ' ' LYS . 22.0 t80 -45.52 -58.49 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -42.35 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -25.94 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.07 -51.13 70.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -55.32 -27.57 47.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 97' ' ' THR . 9.9 t -100.01 9.29 43.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 43.3 50.72 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 95' ' ' SER . 33.3 p -120.84 2.51 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 102' ' ' LEU . 2.9 t -36.37 -53.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 39' ' ' ILE . 69.3 m-85 -50.5 -52.34 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -38.35 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.9 t80 -58.3 -33.41 69.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.91 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.4 mt -90.31 -26.63 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 42.44 2.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.168 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.66 HD12 ' HB3' ' A' ' 102' ' ' LEU . 31.1 mm -74.94 77.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 95.5 mtt180 -57.33 93.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.3 t -92.74 116.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -79.92 134.34 36.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.83 154.0 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -129.29 91.41 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.48 -57.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.3 89.59 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -0.48 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.08 -62.61 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 23' ' ' ILE . 34.8 m-85 -60.95 102.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.542 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -65.57 -17.41 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.78 -41.47 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 73' ' ' PRO . 87.4 mt -66.72 -34.59 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HE2' HG23 ' A' ' 21' ' ' VAL . 1.4 ttpt -69.57 -31.96 70.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -50.31 63.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 53.9 mttt -58.01 -44.61 87.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.495 ' OE1' HG22 ' A' ' 23' ' ' ILE . 18.9 mt-30 -47.62 -38.03 13.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.5 mt-30 -70.74 -53.07 16.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLN . 3.5 t0 -40.25 -34.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 71.5 t -68.03 -87.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.86 -54.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 12.1 mmt180 -37.72 -58.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 98' ' ' VAL . 21.3 t80 -55.62 -48.13 75.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 13.2 mt -58.57 -51.31 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 7.9 mm-40 -58.51 -49.15 78.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.6 -21.9 66.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -100.65 -0.85 36.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' LEU . 2.2 mmmt 59.59 33.56 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 70.6 mt -85.87 150.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -85.42 136.07 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.816 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -171.31 -177.01 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 8.8 pt-20 -152.86 140.41 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.38 90.19 7.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 89.3 t -70.59 88.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.57 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 ' HG3' ' A' ' 53' ' ' ARG . 5.0 pt -70.1 -28.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -36.35 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mmt -89.48 -49.2 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 95.88 9.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.08 -42.56 72.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -57.1 -62.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLU . 28.5 mm-40 -38.15 -55.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.5 ttt180 -54.43 -52.75 60.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -52.66 -45.76 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 85.3 t90 -53.52 -57.45 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 14.0 tmm? -46.02 -53.23 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -53.28 -17.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -97.69 -20.64 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.3 m-80 -110.46 43.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.8 t -155.65 115.51 2.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.52 8.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -66.95 -34.59 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.2 mmtt -82.86 -35.38 26.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.5 mttt -40.42 134.54 1.54 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.0 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.64 30.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.7 158.57 59.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.784 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 168.68 24.28 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.97 159.6 97.78 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.033 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 39.3 mm-40 -136.29 75.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -50.64 136.02 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.1 m-85 -147.23 108.47 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 32.9 t-20 -85.46 100.11 11.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.28 -90.19 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -139.53 14.75 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 122.05 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.8 t80 -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.653 ' HB2' HG22 ' A' ' 76' ' ' ILE . 67.2 m -76.07 -70.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.53 163.06 14.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 54.3 p30 -78.27 179.81 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 42.2 t80 -51.4 -30.84 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -59.58 -46.98 87.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -61.51 -57.69 11.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 90.3 t80 -43.76 -55.41 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.2 -47.24 78.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.1 -13.79 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' ASN . 2.1 m -98.69 -38.25 9.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 7.2 mtmp? -52.92 -37.56 60.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.68 -37.02 72.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -101.53 -1.56 32.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 t-20 60.69 39.02 18.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 95' ' ' SER . 9.0 p -101.63 4.79 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD11 ' A' ' 102' ' ' LEU . 1.9 t -38.31 -50.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 23.3 m-85 -51.59 -54.42 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -40.75 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -52.45 -35.67 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 1.2 mt -87.31 -24.38 24.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.07 32.48 3.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 99' ' ' PHE . 11.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.1 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.751 ' CG2' HG23 ' A' ' 76' ' ' ILE . 39.9 mm -66.38 76.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.13 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.5 t -97.9 123.35 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -87.97 136.88 32.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.3 pp -136.96 142.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -120.45 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -47.85 -37.51 14.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.32 -33.43 73.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.3 p -39.08 120.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.21 -63.07 4.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -38.07 116.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.03 -35.82 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.71 -37.58 3.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.11 -52.42 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.01 -66.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.8 -55.35 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 58.4 mttt -53.14 -62.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 31' ' ' VAL . 29.2 mt-30 -40.68 -37.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.9 mt-30 -72.16 -67.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 6.0 t0 -38.71 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 HG11 ' A' ' 12' ' ' VAL . 20.5 t -65.56 -66.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.2 m -65.94 -49.66 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 28.9 mmt-85 -38.31 -50.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -61.68 -46.24 90.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -63.04 -47.31 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 66.7 mm-40 -59.96 -50.02 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.81 68.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' LYS . 45.2 m-80 -104.62 12.93 32.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 6.7 mmmt 39.13 50.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.577 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 72.6 mt -94.55 150.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.29 129.28 38.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 p90 -178.73 173.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -154.3 143.59 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HG11 ' A' ' 31' ' ' VAL . 15.7 mt-10 -89.1 84.24 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 77.8 t -65.37 84.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -55.37 101.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 13' ' ' PHE . 14.3 pt -83.07 -20.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.58 -30.12 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 mmt -91.65 -41.53 10.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -103.08 106.67 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -49.82 75.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -42.95 -61.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -43.05 -52.26 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -48.54 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -42.03 -53.14 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 43.8 t90 -49.48 -51.03 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ttp -54.7 -41.56 70.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.0 m-30 -70.82 -5.12 27.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -106.38 -13.19 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -115.69 39.88 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.804 HG11 ' HB3' ' A' ' 71' ' ' PRO . 72.0 t -154.43 115.72 2.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.37 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.69 -18.54 63.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.0 mmmt -101.07 -30.88 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.2 mttt -39.9 120.61 1.48 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.1 p30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.4 mt -107.7 158.23 33.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.99 169.55 22.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.06 159.47 97.91 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.967 0.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -140.42 85.37 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.869 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -61.64 143.46 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 12.0 m-85 -151.36 116.76 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' ND2' HD11 ' A' ' 10' ' ' ILE . 21.0 t-20 -85.86 88.29 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 52.68 63.09 5.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.8 m-20 84.4 -43.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -53.07 124.61 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -74.81 115.03 13.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.1 m -86.37 -67.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.4 158.78 9.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -72.38 -175.93 1.72 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 39.2 t80 -52.29 -38.88 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -51.91 -51.28 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.4 m -58.29 -55.31 36.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 72.9 t80 -46.13 -59.15 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.95 -53.76 48.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -51.14 18.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m -71.37 -21.89 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -102.11 -16.97 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 95' ' ' SER . 3.4 t-20 75.8 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -120.96 3.94 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -37.17 -54.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 13.4 m-85 -48.59 -50.56 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 t -70.34 -44.19 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -47.66 -37.61 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.869 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -85.34 -27.34 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.74 44.21 1.15 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 99' ' ' PHE . 12.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 28.1 mm -74.81 77.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -57.02 106.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 76' ' ' ILE . 42.6 t -103.75 109.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -76.93 132.1 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.433 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -138.38 145.87 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.31 75.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 85.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 164.54 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -39.91 125.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.575 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -73.76 61.13 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' GLY . 61.2 m-85 -155.92 87.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -45.67 -38.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.9 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 73' ' ' PRO . 60.7 mt -54.54 -56.38 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -42.89 -63.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -40.63 -57.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 mttt -56.23 -46.81 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.496 ' O ' HG12 ' A' ' 31' ' ' VAL . 26.2 mt-30 -55.66 -33.48 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.3 mm100 -75.98 -61.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 10.5 t0 -39.61 -30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.1 t -68.03 -89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -53.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 6.3 mmt180 -36.94 -64.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -49.44 -41.67 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.4 mt -66.57 -52.22 47.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 58.8 mm-40 -56.98 -51.26 69.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.34 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 32.2 m-80 -104.81 13.21 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER 39.8 53.81 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 78.9 mt -97.86 154.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.11 132.35 41.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.888 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 7.7 p90 -179.96 178.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.64 144.3 19.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.56 84.75 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 t -67.45 84.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -58.62 92.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.929 HD12 ' HG3' ' A' ' 53' ' ' ARG . 25.9 pt -65.14 -35.21 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.92 -41.11 74.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.42 -56.39 8.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -101.24 118.51 37.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.48 -54.54 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -39.76 -60.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -38.66 -53.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.929 ' HG3' HD12 ' A' ' 46' ' ' ILE . 47.7 ttt180 -60.62 -56.71 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.04 -55.4 6.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 78.8 t90 -49.39 -50.28 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.5 ttp -51.73 -46.04 63.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.2 m-30 -66.36 -7.5 19.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -106.87 -5.75 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.83 38.02 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.5 t -151.24 115.29 3.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 171.77 17.67 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.95 -29.76 7.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -67.99 -22.14 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtt -101.15 -29.84 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 21.9 mttt -40.08 120.38 1.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.579 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 146.13 32.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.16 158.49 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 158.55 98.93 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.982 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.55 87.89 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.995 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -62.6 139.37 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -150.35 112.75 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.562 ' ND2' HD11 ' A' ' 10' ' ' ILE . 9.2 t-20 -80.16 85.29 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 48.5 69.55 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 4.4 t70 85.98 -44.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.791 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.79 128.3 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.1 t80 -81.52 105.56 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 76' ' ' ILE . 74.3 m -76.08 -68.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.75 160.91 10.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -75.25 175.34 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 14.0 t80 -44.0 -40.66 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -52.91 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 58.6 m -57.59 -52.36 65.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 68.9 t80 -48.19 -59.94 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 33.6 t80 -53.37 -56.9 12.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -41.8 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ASN . 1.4 m -76.47 -26.08 55.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' PHE . 1.2 ttpp -60.63 -55.35 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.83 -24.6 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -94.87 -20.89 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 t30 75.3 36.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.9 p -113.33 6.48 17.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 2.8 t -37.29 -49.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 28.6 m-85 -53.58 -51.38 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' THR . 2.0 m -69.53 -38.14 77.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -53.34 -39.08 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.995 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.07 -26.76 28.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.79 40.34 1.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 10' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.346 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ARG . 5.6 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 102' ' ' LEU . 32.2 mm -65.39 75.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' VAL . 94.6 mtt180 -55.06 108.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.6 t -103.76 122.7 56.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 46' ' ' ILE . 4.7 m-30 -85.31 134.2 34.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.879 HG22 ' CD ' ' A' ' 27' ' ' GLN . 1.1 pp -136.52 141.48 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.09 74.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 22.0 t -38.3 -44.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB2' HG21 ' A' ' 47' ' ' THR . 0.5 OUTLIER -81.59 64.33 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.4 p -130.91 120.59 23.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.92 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 100.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -33.46 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.28 27.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mt -46.07 -56.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.94 -61.97 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.76 -49.56 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 62.5 mttt -55.51 -54.22 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.879 ' CD ' HG22 ' A' ' 14' ' ' ILE . 3.9 mt-30 -51.57 -40.08 59.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASP . 60.1 mt-30 -60.62 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.0 t0 -39.02 -35.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 72.4 t -71.19 -81.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.6 m -41.29 -49.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.478 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 9.9 mmt-85 -45.02 -56.48 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.9 -40.67 57.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -69.43 -43.42 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.6 mm-40 -60.84 -47.79 84.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.26 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.3 m-80 -103.63 12.55 34.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.1 mmmt 39.65 44.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 59.8 mt -86.72 150.46 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.37 128.6 36.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 34' ' ' LEU . 3.4 p90 -178.17 173.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -154.37 154.82 33.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -99.55 88.2 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 74.8 t -71.75 95.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -63.99 85.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' HG3' ' A' ' 53' ' ' ARG . 47.5 pt -59.22 -28.51 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -63.78 -46.6 84.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -64.66 -51.47 62.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.5 m -102.53 103.93 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.5 -50.04 60.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.89 -60.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -40.14 -51.92 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.737 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -61.32 -56.24 22.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -45.88 -46.4 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 91.4 t90 -51.79 -58.56 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 107.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.429 ' SD ' HG21 ' A' ' 60' ' ' VAL . 5.5 tmm? -44.66 -54.61 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -52.69 -19.08 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' TRP . 6.9 mttt -97.79 -21.39 16.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.72 44.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 71' ' ' PRO . 59.8 t -155.29 116.37 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.42 18.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.48 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.6 -33.06 74.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtm -82.93 -33.33 26.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 11.4 mttt -39.16 133.79 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.5 m-80 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.683 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 148.78 35.98 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.11 157.93 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 168.68 24.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 163.93 89.57 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.023 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 24.2 mm-40 -141.3 73.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.966 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -50.91 143.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 19.0 m-85 -147.69 111.84 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.421 HD21 ' C ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -81.68 80.75 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 56.42 62.69 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 5.0 t70 86.21 -43.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.7 113.32 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.7 t80 -64.26 113.68 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 76' ' ' ILE . 85.7 m -78.02 -70.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.27 154.88 7.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -65.69 176.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 15.4 t80 -46.81 -44.76 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.34 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m -50.19 -61.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 84.0 t80 -44.61 -55.7 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -56.42 -45.82 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.39 -13.54 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASN . 58.0 m -99.55 -25.2 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -66.41 -41.46 89.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -53.14 -39.54 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.68 -11.15 23.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.0 OUTLIER 70.39 43.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.1 p -105.49 4.03 30.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 97' ' ' THR . 1.5 t -37.38 -45.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 38.6 m-85 -57.77 -53.26 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.7 t -67.82 -38.78 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.6 t80 -54.15 -32.2 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.966 ' CD2' HG21 ' A' ' 76' ' ' ILE . 3.7 mt -92.03 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.53 3.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 99' ' ' PHE . 17.9 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.0 mm -75.19 75.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -55.33 104.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -99.39 117.71 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.3 m-30 -81.08 130.92 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -136.58 143.88 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.76 90.64 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 27.2 p -69.0 64.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 159.8 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -123.81 -52.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 -53.38 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -59.17 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.09 -34.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.11 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.977 HG22 ' OE1' ' A' ' 27' ' ' GLN . 80.1 mt -60.95 -44.84 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -58.4 7.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -54.94 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 mttt -48.1 -54.27 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.977 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.7 mt-30 -47.48 -37.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.4 mt-30 -70.98 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.1 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.2 t -68.46 -88.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.15 -53.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.9 mmt-85 -38.27 -61.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' A' ' 98' ' ' VAL . 25.0 t80 -51.97 -40.74 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -66.97 -55.03 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 59.5 mm-40 -52.76 -53.6 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.47 47.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.3 m-80 -108.02 20.85 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 34.25 50.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 99' ' ' PHE . 36.8 mt -92.17 152.53 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 132.2 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.922 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 9.9 p90 -179.27 177.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.09 149.05 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.39 88.65 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 97.4 t -73.24 89.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -58.91 98.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.57 HD12 ' HG3' ' A' ' 53' ' ' ARG . 42.5 pt -74.08 -26.77 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.79 -42.51 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 m -95.79 87.06 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.62 -52.83 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -43.66 -51.39 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -54.67 -43.72 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.246 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 46' ' ' ILE . 33.7 ttp180 -61.68 -64.06 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -42.99 -47.52 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -50.06 -55.16 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.13 -52.54 25.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 3.3 m-85 -55.31 -16.35 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -116.98 42.45 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' HB3' ' A' ' 71' ' ' PRO . 73.0 t -151.36 117.05 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.33 22.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.11 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.85 -18.76 62.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 13.0 mmtt -99.47 -32.5 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.2 mttt -40.35 119.13 1.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.767 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 137.75 22.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.3 mt -123.87 158.36 60.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 168.98 23.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 163.69 90.12 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.923 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 21.2 mm-40 -141.12 77.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -54.43 139.12 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 21.2 m-85 -148.46 105.12 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -77.48 93.99 4.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.23 -89.71 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -140.19 15.39 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.63 123.79 49.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.0 t80 -63.83 110.67 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.8 m -79.04 -74.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.72 152.09 6.64 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -67.92 176.98 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 37.1 t80 -45.4 -44.11 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -43.71 -55.57 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.9 m -56.49 -58.71 6.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 87.8 t80 -40.99 -55.31 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.22 -43.61 97.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -17.85 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -99.05 -43.56 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.3 mtmp? -45.36 -46.77 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -41.97 -46.64 4.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -93.87 -18.22 22.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 95' ' ' SER . 4.0 t-20 81.78 52.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.4 p -113.09 5.36 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 33' ' ' PHE . 1.5 t -37.67 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 39' ' ' ILE . 83.7 m-85 -46.24 -53.96 9.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -46.46 73.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -47.01 -33.65 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.87 ' CD2' HG21 ' A' ' 76' ' ' ILE . 1.1 mt -93.0 -25.78 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.49 41.41 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 2.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 102' ' ' LEU . 30.8 mm -75.61 78.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.22 102.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 76' ' ' ILE . 41.2 t -98.44 104.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.2 m-85 -70.93 132.6 45.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -137.66 150.34 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.57 78.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -39.06 -31.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 47' ' ' THR . 1.0 OUTLIER -114.41 86.92 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -122.45 -59.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.09 9.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.605 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.8 m-85 -88.77 83.77 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' HE2' ' A' ' 24' ' ' LYS . 7.6 p -43.65 -39.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.24 -46.23 65.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 73' ' ' PRO . 56.2 mt -63.28 -47.99 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.656 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -51.92 -40.03 60.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 82.7 mttt -48.9 -52.87 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.59 ' O ' HG13 ' A' ' 31' ' ' VAL . 26.4 mt-30 -39.62 -35.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.3 mt-30 -72.46 -69.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' GLN . 20.0 t0 -36.53 -33.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' GLN . 56.5 t -62.97 -66.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -64.73 -47.34 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 8.4 mmm180 -38.31 -53.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 22.0 t80 -57.9 -49.79 75.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 14.7 mt -59.91 -46.15 90.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 61.5 mm-40 -61.26 -47.49 85.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.33 -23.19 64.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 34.1 m-80 -102.02 7.54 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER 46.05 42.05 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.73 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 67.8 mt -90.98 148.07 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -72.46 136.84 46.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 6.4 p90 -179.53 172.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 13.1 pt-20 -150.08 141.81 23.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -89.01 86.53 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 73.4 t -69.15 93.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 48.2 t0 -64.78 96.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 15' ' ' ALA . 4.2 pt -68.2 -34.3 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.6 OUTLIER -57.92 -44.96 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.426 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 14.7 mmt -72.68 -49.49 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.0 m -96.88 107.97 20.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -41.44 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -51.33 -67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -38.74 -58.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.74 -53.15 12.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -50.92 -57.69 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 36.4 t90 -49.26 -47.88 46.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.0 ttp -54.06 -41.79 68.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.7 m-30 -72.16 -3.06 21.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -106.35 -14.73 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -116.04 39.11 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.733 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.8 t -150.78 115.87 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.07 8.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.0 -22.38 65.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -97.87 -31.58 12.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -40.14 125.45 1.68 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 11.2 p30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.733 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.05 145.64 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.46 158.45 61.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.0 169.58 22.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.98 159.11 98.49 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.012 -0.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -140.52 92.4 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.956 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -63.61 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 9.1 m-85 -155.23 104.31 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 33.2 t-20 -79.82 89.26 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 81' ' ' ARG . . . 63.38 72.48 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 55' ' ' TRP . 4.6 m-20 49.08 22.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 78' ' ' ASN . 1.6 ttt-85 -110.4 111.32 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.2 t80 -59.71 120.91 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.34 -59.55 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.62 158.72 9.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.4 -169.64 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 27.0 t80 -50.08 -42.51 50.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -50.63 -56.45 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -55.74 -53.25 58.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 69.4 t80 -45.92 -56.97 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -55.4 -54.32 45.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -46.29 -45.41 17.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -74.23 -28.39 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -59.9 -46.57 88.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.17 -29.09 67.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 97' ' ' THR . 16.0 t -100.57 6.09 44.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 49.87 55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 95' ' ' SER . 11.9 p -125.83 3.71 7.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.567 HG13 HD11 ' A' ' 102' ' ' LEU . 2.4 t -36.02 -56.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 39.1 m-85 -48.31 -49.75 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -69.93 -41.54 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.0 OUTLIER -52.77 -36.72 58.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.956 HD23 HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -86.07 -29.48 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.56 42.57 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 HD11 ' A' ' 10' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.766 HG21 HD22 ' A' ' 102' ' ' LEU . 33.1 mm -70.95 75.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -53.16 104.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -97.2 118.04 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 3.7 m-85 -80.38 133.93 35.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -137.99 147.91 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.753 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -131.71 82.09 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.65 -43.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.48 98.97 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 19' ' ' GLY . 85.3 p -129.7 -71.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . 143.76 -28.84 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HB2' HD12 ' A' ' 23' ' ' ILE . 12.7 m-85 -100.87 91.42 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.02 -32.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.27 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 27' ' ' GLN . 63.6 mt -60.27 -45.52 96.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -50.59 -59.01 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -59.37 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.7 mttt -48.82 -57.83 5.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.647 ' O ' HG12 ' A' ' 31' ' ' VAL . 24.2 mt-30 -44.97 -39.64 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ASP . 1.8 mt-30 -69.82 -67.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -37.39 -34.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.9 t -63.26 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.12 -51.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -39.3 -54.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -58.93 -37.88 77.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -70.65 -45.98 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 52.3 mm-40 -61.5 -50.06 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.37 67.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.3 m-80 -104.87 11.58 33.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 4.8 mmtt 39.22 52.23 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.561 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 64.8 mt -94.59 155.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.14 128.03 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.9 p90 -178.5 176.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 7.0 pt-20 -158.2 147.64 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.48 97.39 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 62.1 t -83.2 101.84 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.08 103.42 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.753 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 20.5 pt -83.33 -14.1 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.39 -46.61 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 mmt -74.79 -49.18 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.1 m -95.94 102.04 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -52.6 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -60.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -39.45 -50.88 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 5.8 ttp180 -61.15 -57.19 13.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -44.78 -46.04 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.735 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 86.2 t90 -53.82 -57.21 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 107.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.514 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.5 tmm? -48.7 -50.68 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.3 -16.83 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -99.92 -15.32 18.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.735 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.0 m120 -111.52 36.07 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.3 t -156.02 115.54 2.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.62 8.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.01 -30.67 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.6 mmtt -89.06 -30.42 18.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.04 125.04 1.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.1 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.97 133.82 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.568 1.825 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.23 158.59 36.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 158.52 98.93 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.004 0.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -138.45 83.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.826 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -62.16 147.82 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -154.34 112.67 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -78.08 81.45 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 -89.63 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -136.23 14.65 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.02 120.56 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.7 t80 -54.09 114.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.714 ' SG ' HD23 ' A' ' 102' ' ' LEU . 52.7 t -81.53 -77.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.8 147.47 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.76 -176.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 18.2 t80 -53.58 -44.07 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -43.22 -55.79 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 91' ' ' GLU . 58.1 m -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.693 ' CD2' HG22 ' A' ' 30' ' ' VAL . 2.5 t80 -38.38 -44.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.09 -39.74 60.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.7 tt0 -61.11 -13.85 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -100.37 -45.04 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 89' ' ' PHE . 5.8 mtmp? -46.23 -39.17 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.96 -40.81 81.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.73 11.06 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' SER . 22.4 m-20 50.35 57.42 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.353 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.43 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 20.2 p -120.69 1.96 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 93' ' ' LYS . 2.7 t -38.07 -45.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 82.0 m-85 -57.12 -54.4 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 t -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 1.6 t80 -59.02 -36.08 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -92.32 3.58 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.55 37.24 35.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.9 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 102' ' ' LEU . 41.9 mm -80.52 84.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 42' ' ' GLU . 78.7 mtp85 -63.1 100.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ILE . 75.3 t -96.43 108.27 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -73.89 130.44 39.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.432 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pp -137.93 148.31 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.68 88.03 2.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 69.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.3 t -178.81 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.0 p -43.95 110.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -44.05 -51.99 7.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HB2' HD12 ' A' ' 23' ' ' ILE . 94.6 m-85 -37.54 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.56 -44.23 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -47.19 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.677 HD12 ' HB2' ' A' ' 20' ' ' PHE . 73.7 mt -53.82 -53.25 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.85 -58.85 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.93 -54.92 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 82.0 mttt -58.71 -43.24 90.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 24.2 mt-30 -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.4 mm100 -83.83 -56.44 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' GLN . 22.8 t0 -39.12 -32.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' LYS . 69.2 t -66.64 -88.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.64 -55.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.5 mmt180 -37.13 -61.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -51.9 -40.37 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 39' ' ' ILE . 13.4 mt -68.64 -57.08 6.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -50.92 -51.6 50.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.19 -21.84 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m-80 -111.09 25.94 11.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 33.78 39.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.79 HG21 HD22 ' A' ' 34' ' ' LEU . 14.4 mt -82.95 147.35 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 3.0 pt-20 -81.79 134.77 35.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.741 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 26.8 p90 -176.27 177.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 7.8 pt-20 -148.99 144.8 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.55 89.35 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.6 83.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.9 t0 -56.73 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' A' ' 15' ' ' ALA . 8.4 pt -71.72 -24.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.29 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.443 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 20.5 mmt -68.53 -44.64 74.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.7 m -109.88 114.49 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.58 -55.2 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 2.6 tt0 -40.92 -61.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 89.3 mm-40 -37.63 -54.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG3' HD12 ' A' ' 46' ' ' ILE . 9.6 ttp180 -56.2 -52.01 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -51.89 -56.58 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 48.5 t90 -48.81 -50.87 32.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 107.972 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.7 ttp -48.83 -47.57 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 6.0 m-30 -66.43 -9.02 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -100.38 -7.63 24.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.594 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -123.66 35.05 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.9 t -149.06 116.01 3.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -75.04 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.71 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.99 -23.87 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 13.8 mmtt -93.38 -32.21 14.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 18.4 mttt -39.46 134.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 m120 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.684 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 147.07 33.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -124.52 158.0 63.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.95 169.01 23.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.98 157.76 99.42 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.95 -0.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.407 ' OE1' HG21 ' A' ' 60' ' ' VAL . 11.0 mm-40 -139.94 85.09 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.845 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -61.38 138.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 9.8 m-85 -147.69 109.73 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -80.63 89.37 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.54 -90.62 1.04 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -136.14 12.22 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.38 117.12 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.1 t80 -59.93 116.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.8 m -81.19 -75.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.6 152.61 7.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -71.84 178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.797 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 28.1 t80 -47.16 -33.93 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 6.0 m -67.36 -61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 2.4 t80 -37.88 -47.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.05 -50.63 67.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -17.45 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ASN . 28.3 m -97.43 -22.68 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -66.52 -61.46 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.59 -15.95 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 -9.59 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' SER . 9.3 m120 59.38 41.13 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.8 p -116.29 -2.63 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.713 ' CG1' HD11 ' A' ' 102' ' ' LEU . 22.0 t -37.01 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 48.7 m-85 -46.82 -53.76 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -67.28 -44.3 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 3.7 t80 -51.64 -38.0 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.845 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -83.91 -26.71 29.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.14 46.07 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 99' ' ' PHE . 15.1 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.7 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 102' ' ' LEU . 33.8 mm -65.39 75.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HB3' HG21 ' A' ' 44' ' ' VAL . 98.7 mtt180 -55.24 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.7 t -88.02 126.79 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 5.3 m-30 -88.76 132.53 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.45 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.3 pp -133.33 150.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.97 80.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 44.1 p -38.97 -38.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -100.05 96.91 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 m -156.85 120.3 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -71.93 59.87 1.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.2 m-85 -163.58 83.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.04 -36.42 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.2 54.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.835 HD12 ' HB2' ' A' ' 20' ' ' PHE . 93.9 mt -64.42 -43.21 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -54.0 -64.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -46.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 30' ' ' VAL . 51.2 mttt -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.682 ' OE1' HG22 ' A' ' 23' ' ' ILE . 21.5 mt-30 -55.23 -38.7 68.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -69.01 -61.5 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -40.02 -33.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 26' ' ' LYS . 68.0 t -66.66 -87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.2 -55.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.7 mmt180 -37.3 -55.71 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -58.21 -44.8 88.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.5 mt -64.12 -46.56 83.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 17.4 mm-40 -60.71 -50.4 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -25.48 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.5 m-80 -106.43 11.87 30.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.8 mmmt 39.7 49.84 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' A' ' 99' ' ' PHE . 69.4 mt -91.4 154.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.76 127.34 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.8 p90 -178.82 177.16 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' OE2' HG22 ' A' ' 44' ' ' VAL . 9.2 pt-20 -159.67 141.23 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.21 85.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 40.2 t -70.75 97.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' SER . 54.3 t0 -62.98 95.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 13' ' ' PHE . 5.9 pt -70.1 -28.82 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -49.62 68.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.455 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 16.9 mmt -81.93 -44.91 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 69.6 m -55.86 -40.93 73.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 68.99 -62.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.91 -39.93 83.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 23.7 mm-40 -62.9 -34.8 78.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -63.98 -68.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -41.1 -45.83 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 79.4 t90 -53.08 -52.72 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -48.92 -51.32 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -56.93 -15.09 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.97 -7.43 25.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -121.1 37.09 4.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 59' ' ' ASN . 92.6 t -154.1 114.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 -31.13 6.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.83 -23.22 66.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -100.08 -24.92 14.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 16.8 mttt -44.74 121.07 4.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.3 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 18.5 Cg_endo -74.93 137.75 22.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 mt -117.8 159.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.94 160.52 96.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.989 -0.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 38.7 mm-40 -137.02 69.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.858 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -44.94 137.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 20.3 m-85 -147.24 107.24 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -80.11 92.17 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 53.03 51.7 44.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 3.1 m-20 86.27 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -56.34 113.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.92 116.54 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.428 ' HB2' HG22 ' A' ' 76' ' ' ILE . 53.9 m -90.15 -75.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 108.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.18 151.62 6.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -65.25 175.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 19.5 t80 -45.04 -48.54 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -51.57 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -55.04 -60.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.7 t80 -45.65 -58.94 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -52.79 -53.53 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -42.64 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -19.87 58.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 1.8 ttpp -67.92 -49.15 63.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -57.45 -27.47 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -101.14 8.76 42.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 45.48 57.49 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' SER . 1.3 p -127.84 3.63 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -38.03 -49.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 39' ' ' ILE . 47.6 m-85 -52.78 -54.12 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.89 87.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -54.76 -36.84 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.858 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.6 mt -84.72 -17.62 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 16.2 22.24 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' PHE . 20.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -76.89 79.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' PHE . 99.3 mtt180 -57.52 108.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ILE . 84.8 t -105.98 121.3 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.65 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -81.68 136.21 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.89 150.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 86.73 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.25 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -111.09 110.61 21.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.471 ' CB ' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -162.18 111.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.22 -54.78 1.57 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HB2' HD12 ' A' ' 23' ' ' ILE . 49.2 m-85 -61.83 125.57 24.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -87.79 -43.13 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.7 -36.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.97 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.0 mt -64.14 -53.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -42.88 -62.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.3 mptp? -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 71.3 mttt -42.17 -57.11 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.97 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -45.82 -40.83 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.9 mt-30 -68.36 -67.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -38.79 -30.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 26' ' ' LYS . 44.5 t -70.26 -73.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -54.9 -50.34 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.4 mmt180 -39.84 -54.74 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD1' HG11 ' A' ' 98' ' ' VAL . 39.3 t80 -56.73 -50.14 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' LYS . 19.0 mt -57.65 -47.89 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.85 -49.71 76.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -103.31 9.2 38.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 43.59 43.19 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 99' ' ' PHE . 68.0 mt -90.76 148.9 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 132.55 44.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CB ' HD13 ' A' ' 34' ' ' LEU . 4.3 p90 -179.79 174.72 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.18 150.31 28.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.9 88.62 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.508 HG11 ' CE1' ' A' ' 13' ' ' PHE . 92.4 t -68.44 83.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.23 104.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 13' ' ' PHE . 9.4 pt -85.36 -21.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -63.19 -49.34 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 mmt -78.65 -53.79 6.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.2 m -83.58 91.91 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.62 -51.72 62.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -39.46 -61.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -43.86 -53.85 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -49.87 -64.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 71.2 mm-40 -44.01 -52.76 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 90.6 t90 -47.81 -54.87 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.9 ttp -46.61 -54.53 9.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.83 -17.19 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -99.15 -16.39 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -114.12 45.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 56.2 t -156.21 115.96 2.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.47 -21.81 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -96.84 -32.4 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mttt -41.81 130.34 2.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 24.7 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 147.88 34.63 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.4 158.87 71.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.03 169.93 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 158.57 98.91 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.029 -0.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -140.28 88.7 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 10' ' ' ILE . 2.2 mp -63.32 149.96 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 82' ' ' TYR . 14.6 m-85 -158.27 120.51 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.54 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 1.8 m120 -88.46 104.51 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 40.72 60.53 2.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.9 t70 85.66 -43.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 137.71 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CD1' ' CE1' ' A' ' 77' ' ' PHE . 5.9 t80 -88.95 133.3 34.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.95 -72.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.15 165.15 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.84 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.9 t80 -49.91 -51.76 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -39.32 -64.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 2.1 m -50.6 -59.66 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 92.7 t80 -46.47 -58.13 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CD2' ' OH ' ' A' ' 86' ' ' TYR . 26.1 t80 -56.79 -43.99 81.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.2 -14.04 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ASN . 15.6 m -98.6 -46.45 5.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -45.71 -38.57 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.6 -40.95 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . 28.3 t -101.97 7.66 41.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.2 t-20 54.36 46.8 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.5 p -106.57 1.26 25.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.679 HG13 HD11 ' A' ' 102' ' ' LEU . 2.1 t -34.95 -55.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 39' ' ' ILE . 96.2 m-85 -51.08 -52.64 41.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.0 m -65.9 -38.84 89.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.5 t80 -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.733 HD22 HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -99.99 18.06 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.62 23.29 58.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 102' ' ' LEU . 14.8 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.2 t . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 102' ' ' LEU . 37.7 mm -66.25 77.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' VAL . 96.3 mtt180 -55.0 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -95.85 114.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.4 m-30 -81.03 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.849 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.2 pp -136.72 149.79 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.66 90.95 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -67.82 68.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 47' ' ' THR . 3.4 t -176.44 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -39.01 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -47.44 -27.38 4.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.577 ' HB2' HD12 ' A' ' 23' ' ' ILE . 3.5 m-85 -62.38 81.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -44.63 -38.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.79 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' OE1' ' A' ' 27' ' ' GLN . 90.2 mt -58.88 -37.38 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -72.47 -31.57 65.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -69.93 -46.1 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -60.08 -48.09 83.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.885 ' OE1' HG22 ' A' ' 23' ' ' ILE . 7.7 mt-30 -44.23 -35.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.4 mt-30 -70.27 -66.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.85 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.7 t -69.67 -73.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.9 m -56.37 -50.0 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.1 mmt180 -37.86 -52.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -59.97 -44.81 94.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.0 mt -64.28 -47.68 78.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 32.9 mm-40 -60.17 -49.5 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.25 -24.78 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.6 m-80 -106.2 12.89 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.5 50.82 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 99' ' ' PHE . 77.8 mt -94.53 151.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.86 130.35 40.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 4.1 p90 -178.59 173.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -153.31 143.71 22.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.52 86.8 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 90.9 t -70.07 85.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -56.09 92.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' ILE . 32.0 pt -67.26 -16.06 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.432 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -81.36 -30.65 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 mmt -99.95 -48.57 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.39 -41.11 96.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.8 tt0 66.55 -72.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.5 tm-20 -40.27 -46.13 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -62.12 -42.65 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.1 ttt180 -49.45 -64.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.21 -51.91 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 33.9 t90 -49.62 -47.21 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.5 ttp -54.42 -45.47 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.2 m-85 -66.05 -8.94 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -103.07 -9.66 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.5 m-80 -121.29 43.66 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 71' ' ' PRO . 76.7 t -156.04 116.01 2.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -74.94 168.61 24.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.08 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.21 -10.72 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.2 mmmt -107.76 -30.74 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.8 mttt -39.15 123.15 1.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 91.1 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.736 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.54 158.43 36.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 169.7 22.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 160.47 96.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.02 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -140.72 83.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 3.1 mp -59.95 142.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -152.43 118.24 5.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.9 t-20 -86.74 86.47 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.11 62.4 6.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER 84.23 -43.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -49.86 121.7 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.546 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.5 t80 -72.16 111.47 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.77 -68.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.98 160.47 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 43.5 p30 -79.72 178.64 8.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 21.5 t80 -42.01 -45.74 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.91 -54.64 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -56.19 -57.84 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 83.4 t80 -44.26 -56.67 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -56.28 -55.49 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.0 -48.53 21.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 -26.97 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.17 -22.19 60.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' THR . 8.7 t -103.8 3.97 34.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 52.05 44.43 29.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 95' ' ' SER . 22.0 p -115.02 4.11 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 3.0 t -37.12 -50.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 104' ' ' LEU . 62.0 m-85 -53.48 -50.32 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' THR . 19.9 m -70.29 -38.38 75.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.7 OUTLIER -53.41 -38.92 63.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.82 -23.66 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.2 43.86 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 99' ' ' PHE . 41.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' A' ' 102' ' ' LEU . 32.0 mm -77.97 78.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 93.7 mtt180 -56.5 98.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 71.9 t -95.63 97.9 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.407 ' CZ ' HG11 ' A' ' 44' ' ' VAL . 3.2 m-85 -65.56 136.58 56.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -140.78 161.95 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HB1' ' OG1' ' A' ' 47' ' ' THR . . . -132.45 87.0 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.6 t -37.31 -83.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -61.38 80.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' SER . 29.3 t -131.3 108.1 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.37 84.46 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 20.9 m-85 -154.79 -46.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 80.62 -53.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -58.14 -47.4 83.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 73' ' ' PRO . 91.8 mt -48.43 -48.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -46.9 -63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.5 -58.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 30' ' ' VAL . 91.1 mttt -51.92 -55.32 20.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.2 mt-30 -47.6 -36.48 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.0 mt-30 -73.22 -66.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.5 t70 -36.41 -34.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.0 t -62.96 -88.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.939 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -50.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' VAL . 14.3 mmt180 -37.45 -56.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.57 -46.04 77.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.7 mt -59.16 -54.2 49.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.6 mm-40 -56.68 -51.89 67.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.4 -24.36 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -102.59 10.19 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.86 49.35 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.544 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 81.6 mt -100.85 148.62 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.3 136.24 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.939 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 46.1 p90 -170.65 -173.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.8 pt-20 -155.97 143.75 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.75 84.92 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 13' ' ' PHE . 27.9 t -67.58 93.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 49' ' ' SER . 46.2 t0 -65.47 97.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 53' ' ' ARG . 2.1 pt -67.84 -37.82 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.421 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -57.64 -49.27 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.71 -52.04 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m -54.25 -39.71 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 67.05 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -46.25 -54.33 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -50.63 -46.13 58.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 47.3 ttt180 -50.6 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -42.72 -54.51 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 62.2 t90 -52.0 -51.93 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 45.2 ttp -49.71 -48.4 49.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.4 m-30 -62.3 -11.86 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -99.97 -7.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.97 38.89 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.719 HG11 ' HB3' ' A' ' 71' ' ' PRO . 53.7 t -150.34 116.31 3.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.71 22.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.37 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.447 1.761 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.73 -19.3 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' LYS . 27.4 mmtt -98.52 -31.93 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LYS . 32.0 mttt -39.94 132.5 1.48 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.719 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 147.98 34.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 72.8 mt -126.11 158.66 65.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 169.17 23.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.95 158.78 98.78 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.024 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -140.49 89.43 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.021 HG21 HD23 ' A' ' 102' ' ' LEU . 2.0 mp -63.2 140.55 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 10.6 m-85 -154.1 112.44 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 26.6 t-20 -86.71 100.43 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.32 -93.16 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.99 14.92 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 120.27 41.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 4.3 t80 -61.13 121.49 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.573 ' HB2' HG22 ' A' ' 76' ' ' ILE . 85.1 m -94.25 -74.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.3 164.94 23.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -87.55 -173.43 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 51.0 t80 -48.41 -35.69 13.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.69 -52.4 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -64.71 -62.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CZ ' ' CE ' ' A' ' 93' ' ' LYS . 3.1 t80 -37.55 -44.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.94 -45.81 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.5 mt-10 -62.46 -15.07 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ASN . 39.3 m -98.34 -25.2 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CE ' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -67.66 -58.01 5.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -53.56 -24.59 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.98 -19.29 18.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 0.7 OUTLIER 71.96 48.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 6.8 p -124.58 0.1 8.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 102' ' ' LEU . 6.5 t -34.93 -56.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 66.5 m-85 -48.24 -51.45 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.4 t -68.31 -40.68 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 2.6 t80 -55.76 -35.85 66.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -85.4 -22.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.02 37.15 4.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -78.1 77.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -57.44 108.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 10' ' ' ILE . 77.9 t -106.3 123.68 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -85.03 130.73 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 148.81 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -118.28 85.09 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.0 t -39.05 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.71 -81.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -162.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -154.8 31.14 0.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 10.2 m-85 -156.69 94.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -43.31 -28.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 20' ' ' PHE . . . -62.83 -49.48 74.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 27' ' ' GLN . 28.6 mt -57.87 -41.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -36.06 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -63.75 -46.38 85.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.3 mttt -61.39 -48.88 79.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -44.57 -34.27 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.7 mt-30 -69.91 -69.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.8 t0 -39.11 -30.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.8 t -67.3 -65.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.3 m -64.49 -49.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.7 mmt180 -40.37 -53.25 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 98' ' ' VAL . 40.8 t80 -55.9 -50.0 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 41' ' ' PHE . 20.6 mt -58.07 -49.01 78.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.91 -49.18 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.57 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -101.96 10.04 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 22.2 mmmt 43.49 40.82 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 66.9 mt -87.89 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.45 134.11 43.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 34' ' ' LEU . 5.9 p90 -179.29 174.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' OE1' HG22 ' A' ' 44' ' ' VAL . 5.8 pt-20 -153.25 141.93 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 85.28 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' OE1' ' A' ' 42' ' ' GLU . 74.0 t -67.31 84.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -55.43 102.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 73' ' ' PRO . 6.0 pt -77.42 -33.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.56 85.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.51 -50.19 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -101.94 112.22 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.61 -49.26 75.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -43.08 -58.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -47.14 -47.57 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' MET . 3.1 ttt180 -55.54 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -39.52 -51.22 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 79.8 t90 -46.1 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ASN . 61.5 ttp -53.73 -54.06 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -53.11 -18.32 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -96.78 -19.85 18.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.4 m-80 -108.62 39.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 80.8 t -155.95 115.63 2.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.55 22.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.89 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.59 -16.01 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -103.7 -29.87 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -39.92 119.96 1.44 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.9 p30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.91 138.76 23.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -119.42 158.41 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.04 169.13 23.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 156.98 99.89 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.992 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.598 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 9.5 mm-40 -140.45 76.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.636 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -51.96 150.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 34.3 m-85 -155.73 108.1 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -81.04 93.35 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.49 56.36 22.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER 83.31 -35.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.477 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 3.6 ttt180 -51.5 127.07 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.07 86.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.632 ' CB ' HG22 ' A' ' 76' ' ' ILE . 50.9 t -57.45 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.16 160.21 14.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -75.08 -178.67 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 24.8 t80 -51.37 -43.16 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -56.12 9.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -53.04 -59.42 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 50.7 t80 -44.63 -55.93 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -56.42 -53.19 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -49.06 14.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -73.07 -29.37 62.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.56 -46.96 85.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -2.6 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.3 t-20 60.16 53.29 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 17.9 p -124.3 4.36 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -36.19 -53.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 63.8 m-85 -50.88 -50.46 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t -69.54 -40.11 77.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -53.09 -34.64 57.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -89.76 -23.12 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.45 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 99' ' ' PHE . 62.0 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m 62.25 107.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.17 168.97 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.19 156.24 12.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.67 114.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -91.68 -55.24 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.22 179.77 22.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.531 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.2 mtm -111.94 159.48 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 8' ' ' MET . 2.7 t -155.34 114.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 102' ' ' LEU . 30.4 mm -76.71 78.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 96.5 mtt180 -57.97 102.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG22 ' CG1' ' A' ' 76' ' ' ILE . 31.6 t -96.64 112.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.1 m-30 -76.61 129.39 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -134.47 143.07 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -115.6 81.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' ALA . 5.7 t -38.51 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -120.98 86.09 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -114.87 -53.46 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.97 -58.23 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.86 101.34 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.28 -39.69 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.3 -47.57 13.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' OE1' ' A' ' 27' ' ' GLN . 56.6 mt -54.36 -44.72 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.72 5.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -52.07 13.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.6 mttt -50.98 -48.98 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.731 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -55.7 -35.69 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.0 mt-30 -69.33 -66.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -38.54 -31.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 26' ' ' LYS . 78.8 t -68.53 -74.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -52.79 -47.76 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 13.3 mmt-85 -44.48 -56.66 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -51.79 -50.55 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 39' ' ' ILE . 23.5 mt -56.15 -51.36 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.87 -50.52 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.85 66.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -101.75 7.3 41.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 49.86 41.53 22.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 88.6 mt -94.79 144.5 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.21 137.17 37.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -173.99 -179.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 11.3 pt-20 -150.93 142.53 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.99 90.47 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 55.5 t -72.08 94.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -64.01 91.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.703 HD12 ' HG3' ' A' ' 53' ' ' ARG . 44.5 pt -65.76 -29.02 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -47.61 82.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.13 -53.21 32.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -97.07 104.84 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.68 -51.24 61.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -44.22 -59.98 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' OE1' ' CG1' ' A' ' 44' ' ' VAL . 35.9 mm-40 -38.7 -50.8 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.703 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.7 ttp-105 -63.24 -55.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -47.57 -45.97 27.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 73.2 t90 -53.87 -58.01 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.413 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 12.4 tmm? -46.36 -50.39 16.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.5 m-30 -56.81 -15.38 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -99.64 -12.37 20.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.1 m-80 -118.83 44.17 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.5 t -155.18 115.66 2.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.65 8.95 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 28.1 mmtt -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 30.6 mttt -39.84 120.15 1.43 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.96 172.03 17.16 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.5 m 37.45 -97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.3 pt20 -166.02 141.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 -158.48 27.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 68.3 m-20 -46.71 156.1 0.55 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.792 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 136.07 19.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 mt -114.6 158.47 40.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.0 23.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 160.22 96.87 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.984 0.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.2 mm-40 -140.23 73.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.94 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -51.17 141.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 18.8 m-85 -148.38 110.72 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 34.4 t-20 -85.55 98.51 10.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.12 -91.7 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.78 13.86 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 127.66 53.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -66.15 105.35 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 m -70.79 -75.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.9 150.25 5.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -69.31 -178.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 29.9 t80 -49.08 -35.14 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -50.73 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.87 -60.19 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.4 t80 -45.21 -59.66 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 4.8 t80 -51.4 -50.33 59.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.68 -16.35 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HG ' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -94.84 -44.93 7.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 6.5 mtmp? -47.06 -40.85 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.4 -33.14 70.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 92' ' ' SER . 23.3 t -100.9 -1.56 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.7 t-20 57.23 45.81 19.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 p -115.83 8.82 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.499 ' N ' ' HG ' ' A' ' 92' ' ' SER . 2.1 t -41.22 -44.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 64.8 m-85 -56.86 -54.5 45.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -67.05 -31.81 72.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -61.8 -33.75 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.94 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.0 mt -89.6 -22.03 22.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.51 33.56 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -100.11 55.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.16 81.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -176.41 84.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.97 172.29 30.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.05 26.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.29 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.77 159.62 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -143.3 149.68 38.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -156.85 -61.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.949 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 163.34 43.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.47 -55.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m 62.98 106.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.27 137.85 33.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.55 ' O ' HG23 ' A' ' 9' ' ' VAL . 10.1 mtt -79.1 159.21 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' MET . 2.5 t -156.16 114.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.776 HG21 HD22 ' A' ' 102' ' ' LEU . 35.0 mm -77.23 82.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 48.1 mtm180 -61.47 95.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.0 t -88.93 108.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.7 m-30 -76.53 125.1 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.2 pp -132.5 150.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.89 87.88 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.8 t -37.93 -82.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' SER . 48.6 p -111.13 -49.37 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -63.16 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.43 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.2 -34.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.52 -47.97 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PRO . 61.4 mt -54.66 -53.01 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -43.33 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -39.83 -47.26 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.8 mttt -63.51 -52.82 59.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 29.0 mt-30 -52.24 -28.32 18.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 30' ' ' VAL . 1.9 mm100 -79.67 -60.1 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.2 t0 -40.17 -30.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.5 t -67.0 -89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.831 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.28 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 mmt180 -37.63 -55.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 23.3 t80 -57.33 -45.91 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -62.22 -50.6 71.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 53.3 mm-40 -58.68 -49.69 76.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -23.84 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -102.01 5.76 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 51.01 47.64 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 96.8 mt -98.9 149.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.58 136.98 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.831 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 36.0 p90 -174.54 -176.64 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 9.3 pt-20 -154.43 141.26 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 88.38 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 41.1 t -70.09 91.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' OD1' ' HB ' ' A' ' 47' ' ' THR . 19.3 t0 -62.45 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.786 HD12 ' HG3' ' A' ' 53' ' ' ARG . 14.9 pt -60.73 -20.99 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' HB ' ' OD1' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -64.89 -48.44 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.42 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.6 mmt -71.41 -57.64 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 m -86.53 103.29 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.11 -55.26 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -41.05 -58.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -41.33 -50.18 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD12 ' A' ' 46' ' ' ILE . 34.3 ttt180 -61.62 -56.8 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -46.23 -46.78 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 88.3 t90 -51.77 -56.46 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -48.39 -51.54 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.5 m-30 -55.64 -15.68 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.07 -17.01 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.624 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.1 m-80 -112.37 42.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.3 t -155.27 115.32 2.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.62 22.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.81 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.51 -10.27 59.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -110.68 -26.5 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -40.25 118.77 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -75.04 171.37 18.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' PRO . 64.8 m 35.52 -105.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -152.65 161.35 42.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.57 -157.27 52.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 p30 -50.05 159.9 0.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.91 131.32 14.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -111.04 158.76 34.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 169.64 22.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.93 161.78 94.13 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.023 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -140.85 79.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.079 HG21 HD23 ' A' ' 102' ' ' LEU . 3.4 mp -51.84 135.9 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 11.4 m-85 -147.17 107.46 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 33.5 t-20 -80.56 89.94 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 77.56 -91.76 1.07 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -137.56 13.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 119.01 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -59.56 111.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.0 m -84.87 -64.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.7 162.41 11.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -83.02 179.6 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 29.1 t80 -41.72 -45.16 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.17 -57.48 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 88.6 t80 -51.25 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -47.43 -54.82 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -45.35 34.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -73.51 -23.51 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -63.99 -46.61 83.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.68 -27.49 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 -0.74 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 55.97 55.92 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.4 p -125.81 2.34 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.8 t -37.68 -54.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 104' ' ' LEU . 48.0 m-85 -48.28 -52.19 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -44.53 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.4 t80 -47.69 -37.22 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.079 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -83.59 -27.21 29.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.93 32.4 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.5 mt -100.49 130.36 46.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 119.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.28 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.11 -152.39 48.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.02 3.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.4 p -98.29 145.47 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.3 m 49.15 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 p -110.42 137.35 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t 61.6 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.37 -152.26 22.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.25 142.47 50.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -121.24 132.26 54.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.15 141.8 8.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 11.2 mtm -97.84 122.28 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.72 114.21 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 102' ' ' LEU . 32.2 mm -76.47 79.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 97.7 mtt180 -59.27 96.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 97.0 t -91.54 116.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -82.36 131.24 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.815 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -138.92 149.27 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.38 89.4 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -40.14 -29.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.5 m -104.3 73.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.8 p -123.24 88.69 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.51 -29.89 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-85 -77.58 94.83 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.32 -44.44 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.89 -46.46 10.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.944 HG22 ' OE1' ' A' ' 27' ' ' GLN . 65.3 mt -56.85 -51.59 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.0 -56.92 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 1.7 mttt -40.34 -49.9 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -57.66 -54.52 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.944 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.9 mt-30 -44.05 -39.11 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.9 mt-30 -68.58 -65.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -36.71 -35.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.8 t -63.8 -88.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.11 -53.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.2 mmt180 -37.37 -59.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -56.53 -46.86 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 31' ' ' VAL . 14.3 mt -59.01 -49.66 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 5.5 mm-40 -60.71 -49.69 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' CB ' HG13 ' A' ' 39' ' ' ILE . 22.9 m-80 -104.83 14.67 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 42.49 49.89 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.329 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.0 mt -100.04 146.36 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 8' ' ' MET . 2.5 pt-20 -81.41 135.74 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -173.52 179.09 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 5.9 pt-20 -149.62 143.66 25.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.63 90.86 7.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 59.0 t -71.11 85.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -58.38 96.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' HG3' ' A' ' 53' ' ' ARG . 29.9 pt -69.02 -34.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -50.78 72.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.42 -54.22 43.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 m -99.4 114.79 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.98 -57.85 10.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -60.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -38.45 -53.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' HD12 ' A' ' 46' ' ' ILE . 3.0 ttp180 -58.64 -52.73 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -50.04 -44.23 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.652 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 82.8 t90 -54.34 -59.83 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 107.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 tmm? -46.07 -51.12 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.44 -16.25 2.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -100.15 -15.81 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.652 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.1 m120 -112.98 39.21 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 71' ' ' PRO . 87.5 t -156.7 115.67 2.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.35 8.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.84 -31.2 70.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.6 mmtt -88.53 -29.58 19.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.45 123.85 1.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.98 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 53.2 m 36.42 -96.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' PRO . 3.2 pp0? -163.39 151.36 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.29 -165.22 48.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -40.85 157.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.01 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.95 158.42 31.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 168.5 24.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 167.51 80.25 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.028 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -144.8 73.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.893 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -50.11 137.73 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -145.8 106.83 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -77.17 83.94 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.6 -93.24 1.56 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.24 16.96 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.31 134.29 53.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 60' ' ' VAL . 7.4 t80 -69.57 120.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.1 m -88.89 -70.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.41 149.17 5.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.05 178.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 19.6 t80 -47.59 -43.65 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.89 -55.72 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.4 m -49.54 -57.82 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.1 t80 -46.27 -61.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.07 -55.75 16.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -47.08 -45.08 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -30.37 65.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -57.04 -49.69 75.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -57.66 -27.77 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -99.43 6.77 45.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 47.12 55.35 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' SER . 3.2 p -127.52 3.33 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 4.4 t -36.83 -50.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 31.9 m-85 -52.66 -51.5 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 t -68.74 -38.65 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.2 t80 -54.58 -37.91 66.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.893 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -84.82 -25.31 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.0 38.66 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.44 59.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -174.36 175.86 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 m 69.93 -61.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LYS . . . -57.78 -165.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 t 62.35 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -58.84 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.29 90.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.78 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -118.8 149.77 40.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.97 -172.08 16.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -129.6 166.04 20.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -96.49 68.29 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.9 148.54 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 16.7 mtm -96.78 123.9 40.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.62 117.51 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.796 HG22 HG23 ' A' ' 12' ' ' VAL . 31.9 mm -78.07 85.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 31.2 mtm105 -65.13 87.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.796 HG23 HG22 ' A' ' 10' ' ' ILE . 71.7 t -86.95 118.18 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' HD2' HG21 ' A' ' 46' ' ' ILE . 4.8 m-85 -77.65 135.68 38.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.3 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.54 87.47 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -38.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.652 ' H ' HG21 ' A' ' 47' ' ' THR . 1.2 t -74.65 83.68 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -72.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.71 -30.69 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.614 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.7 m-85 -94.92 93.46 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 p -49.17 -36.06 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.5 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.876 HG22 ' OE1' ' A' ' 27' ' ' GLN . 61.1 mt -53.83 -43.54 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -59.64 -53.23 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -50.76 28.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.6 mttt -53.37 -47.98 68.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.876 ' OE1' HG22 ' A' ' 23' ' ' ILE . 12.1 mt-30 -53.49 -36.42 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 30.2 mt-30 -68.35 -69.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -38.59 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' LYS . 74.1 t -68.24 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.1 m -56.71 -49.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mmt-85 -40.41 -53.55 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.43 -51.22 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 39' ' ' ILE . 21.1 mt -56.37 -52.7 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -55.93 -51.39 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.42 -21.53 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -101.78 4.06 40.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' LEU . 42.1 mmtt 55.15 32.4 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.649 HG21 HD22 ' A' ' 34' ' ' LEU . 61.4 mt -83.13 146.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' MET . 1.9 pt-20 -81.99 136.48 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -175.24 177.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.38 138.78 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE2' HG11 ' A' ' 31' ' ' VAL . 16.3 mt-10 -89.16 80.03 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.41 97.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.4 t0 -68.46 107.12 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.647 HD11 ' HG3' ' A' ' 73' ' ' PRO . 8.2 pt -85.79 -36.56 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.652 HG21 ' H ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 -31.45 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.437 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 13.7 mmt -87.2 -49.71 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -99.76 95.16 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.0 -51.43 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -57.47 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -44.24 -46.39 8.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -58.63 -64.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -43.95 -56.07 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 42.4 t90 -47.68 -46.07 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 31.7 ttp -58.45 -44.14 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.11 -8.93 26.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -102.83 -10.93 18.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -117.36 39.3 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 71' ' ' PRO . 77.2 t -155.88 115.88 2.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.94 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -74.95 -28.36 9.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.72 -9.25 58.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.3 mmmt -111.44 -27.48 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.5 mttt -39.24 117.77 1.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.02 154.62 42.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.5 m 35.31 -120.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -52.27 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . -67.15 -81.14 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.1 m120 -38.89 138.36 0.82 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.695 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -117.81 158.51 45.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.697 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.08 169.0 23.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 158.76 98.8 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.996 0.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -140.7 84.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.953 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -57.8 140.92 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.7 m-85 -153.56 108.55 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.4 t-20 -82.43 95.64 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 76.45 -91.68 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -138.15 14.05 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 130.98 54.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.8 t80 -68.04 118.78 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 76' ' ' ILE . 55.7 m -86.63 -68.41 0.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.47 155.79 7.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.64 -177.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 0.821 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 2.5 t80 -52.09 -39.1 59.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -57.31 -52.69 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 73.6 t80 -46.93 -60.31 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.29 -52.64 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.65 -50.57 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 1.2 m -71.29 -25.14 62.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 3.7 ttpp -62.37 -48.37 80.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -59.58 -27.81 66.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 97' ' ' THR . 21.1 t -100.9 7.17 43.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 49.43 57.56 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' SER . 53.6 p -128.02 3.15 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 102' ' ' LEU . 4.2 t -37.54 -53.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 49.6 m-85 -48.89 -51.37 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -43.4 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -49.28 -39.88 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.953 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.94 -21.34 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.87 49.51 1.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 99' ' ' PHE . 71.7 mt -108.78 -107.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.65 79.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.5 t -156.28 76.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 62.79 -171.6 11.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 74.49 3.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -86.84 -44.54 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -106.61 89.5 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.47 126.47 55.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -142.49 158.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.24 148.27 5.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -168.07 94.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.6 136.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.87 -179.12 20.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.73 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.5 mtm -115.91 165.05 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 8' ' ' MET . 3.8 t -161.07 101.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 102' ' ' LEU . 33.6 mm -65.85 74.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' VAL . 91.9 mtt180 -51.8 103.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.8 t -98.47 112.38 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.3 m-85 -77.78 132.81 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.89 149.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . . . -125.86 77.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -65.66 73.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.4 t -176.87 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' SER . 27.6 t -39.42 145.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.43 46.15 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 23' ' ' ILE . 14.9 m-85 -138.87 84.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.46 -32.32 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.07 66.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.028 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.1 mt -68.63 -37.45 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -56.99 -63.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.66 -53.92 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 45.2 mttt -51.86 -54.02 33.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 1.028 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -47.61 -42.85 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 5.5 mt-30 -67.4 -63.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.59 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' VAL . 47.3 t -73.09 -88.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.894 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -38.97 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.5 mmt180 -38.16 -54.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -59.87 -45.14 93.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -61.86 -46.22 90.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.9 mm-40 -62.77 -48.81 77.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.85 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 48.5 m-80 -104.81 11.35 33.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.3 mmtt 39.13 53.08 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.39 155.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.4 mt-10 -72.56 127.47 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.894 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.3 p90 -178.91 178.75 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 4.2 pt-20 -159.43 154.06 24.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.46 79.14 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.56 93.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -62.36 110.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 73' ' ' PRO . 4.7 pt -92.19 -21.31 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -36.76 81.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmt -89.85 -47.88 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -92.31 90.72 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.76 -47.87 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.56 -56.29 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -48.41 -49.96 32.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -46.42 -59.22 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -44.86 -49.84 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.418 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 24.2 ttp -57.01 -41.88 79.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.3 m-30 -71.24 -3.97 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -106.24 -10.87 16.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.437 ' C ' HG23 ' A' ' 60' ' ' VAL . 4.4 m120 -118.46 35.0 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 71' ' ' PRO . 93.8 t -153.24 115.64 2.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.59 16.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.34 7.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.39 -15.79 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.9 mmtt -102.05 -32.14 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 26.6 mttt -39.47 124.4 1.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.01 175.18 11.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.4 m 36.85 -97.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' PRO . 6.7 pt20 -167.74 123.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.54 -162.57 12.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -42.63 158.39 0.22 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 123.8 8.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -105.81 158.23 32.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.623 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 158.87 98.69 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.951 -2.521 . . . . 0.0 111.003 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.24 82.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.814 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -59.04 135.86 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -148.28 110.59 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.2 t-20 -81.02 84.33 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.99 -93.13 1.67 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 7.7 t0 -133.12 11.13 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -110.02 127.13 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.8 t80 -67.15 126.7 30.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.553 ' HB2' HG22 ' A' ' 76' ' ' ILE . 1.9 m -94.35 -65.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.42 155.68 8.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 58.1 p30 -78.49 176.77 9.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 16.0 t80 -44.85 -30.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.426 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 2.0 t0 -61.33 -45.61 93.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -66.3 -52.0 51.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 79.1 t80 -47.04 -58.77 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -55.02 -52.24 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.86 -51.62 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -70.69 -25.33 62.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.85 -45.62 88.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.4 -29.94 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 97' ' ' THR . 8.5 t -101.67 6.48 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 52.32 59.42 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 21.4 p -127.98 4.37 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -38.19 -50.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LEU . 46.8 m-85 -52.21 -53.82 38.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -37.83 85.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -56.71 -33.57 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.814 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -95.92 8.95 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.74 41.86 81.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' PHE . 14.3 mt -108.95 61.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.88 82.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.87 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.49 179.51 16.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 66.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.808 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.0 t -107.7 140.73 40.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.6 164.97 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 p -176.74 145.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 0.725 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -167.77 132.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.5 116.98 1.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -161.14 128.98 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.15 88.48 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 134.68 7.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.56 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.5 mtp -106.56 171.82 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 8' ' ' MET . 3.4 t -156.18 101.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.9 mm -70.78 74.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 92.1 mtt180 -48.09 103.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ILE . 85.7 t -101.45 98.83 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 136.4 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -141.49 152.0 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -124.7 85.87 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' SER . 1.4 t -37.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -62.3 81.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' SER . 19.5 t -112.31 -60.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.82 -63.03 0.62 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.44 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.93 -30.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.52 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 73' ' ' PRO . 68.1 mt -53.32 -48.52 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -63.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -45.21 -55.65 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.2 mttt -51.66 -52.76 45.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 31' ' ' VAL . 28.5 mt-30 -49.53 -36.17 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 14.4 mt-30 -71.27 -68.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.9 t0 -38.65 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 26' ' ' LYS . 51.4 t -65.01 -65.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -65.03 -49.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 10.9 mmt-85 -39.32 -50.99 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 98' ' ' VAL . 31.9 t80 -59.17 -50.54 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LYS . 16.1 mt -57.82 -47.49 82.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.8 mm-40 -59.56 -48.82 80.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.57 -22.76 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 31.8 m-80 -102.46 9.28 39.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER 44.8 49.7 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 99' ' ' PHE . 80.1 mt -102.11 145.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 2.0 mp0 -71.73 141.33 49.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 8.3 p90 179.06 172.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.575 ' OE1' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -150.26 139.25 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -85.86 79.78 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 ' OE1' ' A' ' 42' ' ' GLU . 69.5 t -66.24 93.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -64.68 95.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 8.3 pt -68.08 -34.74 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -46.43 85.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 mmt -70.15 -55.08 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 103.33 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.34 -56.66 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -40.62 -62.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 24.6 mm-40 -38.0 -55.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.6 ttp-105 -55.29 -53.11 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -49.61 -55.1 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 58.4 t90 -51.61 -49.32 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.5 ttp -54.35 -44.29 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.6 m-30 -66.42 -8.67 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -103.59 -9.99 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.4 m-80 -118.23 36.72 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.1 t -151.83 115.71 3.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -29.08 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.73 -19.0 64.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.8 mmtt -101.62 -30.59 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.6 mttt -40.33 120.51 1.6 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 50.2 m 36.88 -96.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' PRO . 1.6 pp0? -166.66 138.82 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.49 -161.58 26.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 5.9 p30 -43.89 155.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 122.91 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.3 158.56 31.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.96 169.36 22.8 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.03 158.43 98.98 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.96 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.51 88.42 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.963 HG21 HD23 ' A' ' 102' ' ' LEU . 3.6 mp -63.08 138.94 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.8 m-85 -149.99 110.02 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 27.5 t-20 -85.64 99.56 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.36 -94.2 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -135.31 11.69 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.51 126.87 52.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 5.9 t80 -67.74 117.1 9.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.0 -66.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.05 157.09 8.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 15.9 p-10 -71.37 -176.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 t80 -52.48 -38.35 59.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -50.9 65.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.49 -52.51 65.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.8 t80 -47.76 -59.8 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 3.2 t80 -53.44 -53.69 47.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.94 -50.94 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.5 OUTLIER -71.17 -25.45 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -63.58 -43.11 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.04 -32.14 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.23 7.2 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 53.0 60.89 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -126.43 1.5 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 33' ' ' PHE . 2.7 t -36.74 -55.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 39' ' ' ILE . 62.4 m-85 -48.58 -51.3 28.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -69.14 -39.82 78.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -55.48 -36.72 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.963 HD23 HG21 ' A' ' 76' ' ' ILE . 1.1 mt -81.66 -23.51 36.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.08 34.28 2.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 99' ' ' PHE . 7.6 mt -106.95 136.52 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt 68.33 -68.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 104' ' ' LEU . 2.8 m -61.04 -55.39 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.85 176.91 1.6 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.132 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.51 5.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.9 p -95.84 154.3 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.1 t -158.78 99.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t 63.46 113.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.22 108.68 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.84 -157.51 41.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 65.15 119.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -92.36 90.1 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.4 -158.81 3.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.644 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.6 mtm -106.2 164.44 12.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 8' ' ' MET . 2.8 t -158.42 111.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.9 mm -75.06 78.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 94.1 mtt180 -58.16 101.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.1 t -98.78 117.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.5 m-30 -80.58 132.12 35.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -135.54 147.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -118.72 83.62 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.51 -30.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -112.77 116.23 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.92 115.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.01 -68.28 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 23' ' ' ILE . 82.2 m-85 -42.98 105.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.36 -34.32 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.63 -43.83 26.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 27' ' ' GLN . 86.6 mt -50.74 -54.53 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.23 -64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.29 -54.92 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 43.1 mttt -50.24 -56.59 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.768 ' OE1' HG22 ' A' ' 23' ' ' ILE . 23.7 mt-30 -44.4 -41.24 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 3.6 mt-30 -69.52 -61.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -38.7 -31.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.1 t -71.18 -89.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.901 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.01 -50.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 29.2 mmt-85 -37.53 -54.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 17.5 t80 -59.0 -48.36 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.2 mt -57.86 -49.87 75.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 6.7 mm-40 -59.97 -48.02 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.34 -21.76 66.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 13.1 m-80 -100.98 -0.19 37.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 57.64 36.89 27.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 99' ' ' PHE . 74.7 mt -88.98 151.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.94 136.3 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.901 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 34.5 p90 -172.89 179.24 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 7.7 pt-20 -149.67 141.82 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.85 90.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 60.2 t -68.96 89.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.88 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 13' ' ' PHE . 11.6 pt -80.32 -16.64 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -41.36 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mmt -77.67 -51.92 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -94.64 118.7 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.33 -53.04 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -39.65 -62.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -38.88 -55.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -54.15 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -49.71 -45.63 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 69.7 t90 -53.33 -58.21 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.049 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 56' ' ' MET . 3.2 tmm? -46.09 -51.18 14.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -56.63 -16.2 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -99.3 -13.33 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -119.34 47.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.789 HG11 ' HB3' ' A' ' 71' ' ' PRO . 58.9 t -158.0 116.64 1.85 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.75 21.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.59 9.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.39 -23.53 63.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.1 mmtm -94.94 -32.17 13.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -39.39 119.51 1.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.05 157.69 42.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 68' ' ' GLN . 65.6 m 36.65 -115.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 67' ' ' THR . 64.8 mt-30 -158.67 135.01 9.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . 110.48 74.78 0.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.4 OUTLIER 56.39 164.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.789 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 134.36 17.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -117.49 158.76 44.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.582 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.08 169.47 22.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.553 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.94 162.82 92.06 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.022 -0.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 20.8 mm-40 -141.02 71.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.91 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -49.61 139.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 15.5 m-85 -147.88 109.6 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.8 t-20 -81.13 86.73 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 57.32 54.75 34.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 m-20 85.83 -38.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.05 109.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.501 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -59.67 108.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.0 m -82.57 -70.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.38 150.84 5.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -67.82 174.86 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 27.2 t80 -38.81 -45.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.43 -56.47 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 70.1 m -50.56 -55.69 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 77.1 t80 -49.65 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 93' ' ' LYS . 22.0 t80 -45.52 -58.49 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -42.35 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -25.94 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.07 -51.13 70.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -55.32 -27.57 47.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 97' ' ' THR . 9.9 t -100.01 9.29 43.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 43.3 50.72 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 95' ' ' SER . 33.3 p -120.84 2.51 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 102' ' ' LEU . 2.9 t -36.37 -53.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 39' ' ' ILE . 69.3 m-85 -50.5 -52.34 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -38.35 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.9 t80 -58.3 -33.41 69.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.91 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.4 mt -90.31 -26.63 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 42.44 2.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.168 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.92 42.8 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.98 81.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.2 p -175.89 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.959 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 92.28 178.64 41.44 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m 73.63 -59.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 m -148.87 104.66 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -119.81 164.52 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t 65.14 98.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.53 119.4 0.64 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -104.53 78.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.86 90.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.09 133.32 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 13.9 mtm -104.22 120.14 40.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.66 HD12 ' HB3' ' A' ' 102' ' ' LEU . 31.1 mm -74.94 77.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 95.5 mtt180 -57.33 93.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.3 t -92.74 116.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -79.92 134.34 36.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.83 154.0 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -129.29 91.41 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.48 -57.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.3 89.59 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -0.48 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.08 -62.61 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 23' ' ' ILE . 34.8 m-85 -60.95 102.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -65.57 -17.41 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.78 -41.47 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 73' ' ' PRO . 87.4 mt -66.72 -34.59 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HE2' HG23 ' A' ' 21' ' ' VAL . 1.4 ttpt -69.57 -31.96 70.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -50.31 63.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 53.9 mttt -58.01 -44.61 87.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.495 ' OE1' HG22 ' A' ' 23' ' ' ILE . 18.9 mt-30 -47.62 -38.03 13.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.5 mt-30 -70.74 -53.07 16.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLN . 3.5 t0 -40.25 -34.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 71.5 t -68.03 -87.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.86 -54.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 12.1 mmt180 -37.72 -58.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 98' ' ' VAL . 21.3 t80 -55.62 -48.13 75.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 13.2 mt -58.57 -51.31 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 7.9 mm-40 -58.51 -49.15 78.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.6 -21.9 66.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -100.65 -0.85 36.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' LEU . 2.2 mmmt 59.59 33.56 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 70.6 mt -85.87 150.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 8' ' ' MET . 1.9 pt-20 -85.42 136.07 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.816 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -171.31 -177.01 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 8.8 pt-20 -152.86 140.41 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.38 90.19 7.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 89.3 t -70.59 88.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.57 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 ' HG3' ' A' ' 53' ' ' ARG . 5.0 pt -70.1 -28.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -36.35 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mmt -89.48 -49.2 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 95.88 9.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.08 -42.56 72.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -57.1 -62.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLU . 28.5 mm-40 -38.15 -55.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.5 ttt180 -54.43 -52.75 60.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -52.66 -45.76 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 85.3 t90 -53.52 -57.45 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 14.0 tmm? -46.02 -53.23 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -53.28 -17.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -97.69 -20.64 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.3 m-80 -110.46 43.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.8 t -155.65 115.51 2.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.52 8.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -66.95 -34.59 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.2 mmtt -82.86 -35.38 26.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.5 mttt -40.42 134.54 1.54 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -74.98 -82.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -45.48 -95.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.03 -46.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.05 -93.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.0 p30 -100.57 158.62 31.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.64 30.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.7 158.57 59.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.784 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 168.68 24.28 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.97 159.6 97.78 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.033 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 39.3 mm-40 -136.29 75.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -50.64 136.02 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.1 m-85 -147.23 108.47 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 32.9 t-20 -85.46 100.11 11.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.28 -90.19 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -139.53 14.75 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 122.05 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.8 t80 -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.653 ' HB2' HG22 ' A' ' 76' ' ' ILE . 67.2 m -76.07 -70.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.53 163.06 14.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 54.3 p30 -78.27 179.81 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 42.2 t80 -51.4 -30.84 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -59.58 -46.98 87.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -61.51 -57.69 11.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 90.3 t80 -43.76 -55.41 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.2 -47.24 78.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.1 -13.79 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' ASN . 2.1 m -98.69 -38.25 9.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 7.2 mtmp? -52.92 -37.56 60.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.68 -37.02 72.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -101.53 -1.56 32.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 t-20 60.69 39.02 18.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 95' ' ' SER . 9.0 p -101.63 4.79 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD11 ' A' ' 102' ' ' LEU . 1.9 t -38.31 -50.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 23.3 m-85 -51.59 -54.42 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -40.75 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -52.45 -35.67 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 1.2 mt -87.31 -24.38 24.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.07 32.48 3.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 99' ' ' PHE . 11.7 mt -102.4 65.69 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' SER . 1.3 mtmt 173.55 -62.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -38.69 -57.59 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.43 148.51 48.68 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.47 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.5 m -144.59 109.08 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 164.22 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p -114.17 -58.51 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -124.16 114.84 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.62 102.34 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.57 156.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.024 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -103.01 -55.73 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.88 -174.48 40.84 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.705 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.0 mtm -105.69 162.78 13.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 8' ' ' MET . 3.1 t -160.6 104.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.751 ' CG2' HG23 ' A' ' 76' ' ' ILE . 39.9 mm -66.38 76.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.13 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.5 t -97.9 123.35 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -87.97 136.88 32.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.3 pp -136.96 142.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -120.45 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -47.85 -37.51 14.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.32 -33.43 73.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.3 p -39.08 120.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.21 -63.07 4.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -38.07 116.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.03 -35.82 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.71 -37.58 3.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.11 -52.42 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.01 -66.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.8 -55.35 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 58.4 mttt -53.14 -62.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 31' ' ' VAL . 29.2 mt-30 -40.68 -37.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.9 mt-30 -72.16 -67.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 6.0 t0 -38.71 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 HG11 ' A' ' 12' ' ' VAL . 20.5 t -65.56 -66.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.2 m -65.94 -49.66 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 28.9 mmt-85 -38.31 -50.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -61.68 -46.24 90.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -63.04 -47.31 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 66.7 mm-40 -59.96 -50.02 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.81 68.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' LYS . 45.2 m-80 -104.62 12.93 32.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 6.7 mmmt 39.13 50.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.577 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 72.6 mt -94.55 150.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.29 129.28 38.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 p90 -178.73 173.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -154.3 143.59 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HG11 ' A' ' 31' ' ' VAL . 15.7 mt-10 -89.1 84.24 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 77.8 t -65.37 84.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -55.37 101.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 13' ' ' PHE . 14.3 pt -83.07 -20.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.58 -30.12 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 mmt -91.65 -41.53 10.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -103.08 106.67 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -49.82 75.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -42.95 -61.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -43.05 -52.26 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -48.54 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -42.03 -53.14 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 43.8 t90 -49.48 -51.03 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ttp -54.7 -41.56 70.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.0 m-30 -70.82 -5.12 27.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -106.38 -13.19 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -115.69 39.88 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.804 HG11 ' HB3' ' A' ' 71' ' ' PRO . 72.0 t -154.43 115.72 2.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.37 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.69 -18.54 63.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.0 mmmt -101.07 -30.88 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.2 mttt -39.9 120.61 1.48 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.99 169.27 22.99 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 52.9 m 37.76 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -164.12 144.16 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.1 -165.79 36.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.1 p30 -42.03 156.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.4 mt -107.7 158.23 33.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.99 169.55 22.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.06 159.47 97.91 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.967 0.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -140.42 85.37 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.869 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -61.64 143.46 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 12.0 m-85 -151.36 116.76 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' ND2' HD11 ' A' ' 10' ' ' ILE . 21.0 t-20 -85.86 88.29 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 52.68 63.09 5.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.8 m-20 84.4 -43.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -53.07 124.61 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -74.81 115.03 13.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.1 m -86.37 -67.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.4 158.78 9.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -72.38 -175.93 1.72 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 39.2 t80 -52.29 -38.88 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -51.91 -51.28 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.4 m -58.29 -55.31 36.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 72.9 t80 -46.13 -59.15 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.95 -53.76 48.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -51.14 18.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m -71.37 -21.89 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -102.11 -16.97 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 95' ' ' SER . 3.4 t-20 75.8 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -120.96 3.94 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -37.17 -54.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 13.4 m-85 -48.59 -50.56 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 t -70.34 -44.19 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -47.66 -37.61 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.869 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -85.34 -27.34 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.74 44.21 1.15 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 99' ' ' PHE . 12.9 mt -113.47 56.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -172.8 75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 81.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.47 168.99 12.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 145.96 31.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.52 1.8 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p -173.1 132.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.8 p -121.63 149.57 42.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m 61.13 108.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.28 94.64 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.23 -96.82 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -117.25 138.3 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.17 147.2 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.58 157.51 21.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtm -92.8 121.89 34.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 0.747 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -89.3 112.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 28.1 mm -74.81 77.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -57.02 106.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 76' ' ' ILE . 42.6 t -103.75 109.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -76.93 132.1 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.433 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -138.38 145.87 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.31 75.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 85.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 164.54 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -39.91 125.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.575 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -73.76 61.13 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' GLY . 61.2 m-85 -155.92 87.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -45.67 -38.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.9 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 73' ' ' PRO . 60.7 mt -54.54 -56.38 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -42.89 -63.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -40.63 -57.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 mttt -56.23 -46.81 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' O ' HG12 ' A' ' 31' ' ' VAL . 26.2 mt-30 -55.66 -33.48 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.3 mm100 -75.98 -61.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 10.5 t0 -39.61 -30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.1 t -68.03 -89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -53.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 6.3 mmt180 -36.94 -64.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -49.44 -41.67 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.4 mt -66.57 -52.22 47.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 58.8 mm-40 -56.98 -51.26 69.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.34 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 32.2 m-80 -104.81 13.21 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER 39.8 53.81 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 78.9 mt -97.86 154.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.11 132.35 41.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.888 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 7.7 p90 -179.96 178.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.64 144.3 19.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.56 84.75 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 t -67.45 84.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -58.62 92.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.929 HD12 ' HG3' ' A' ' 53' ' ' ARG . 25.9 pt -65.14 -35.21 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.92 -41.11 74.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.42 -56.39 8.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -101.24 118.51 37.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.48 -54.54 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -39.76 -60.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -38.66 -53.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.929 ' HG3' HD12 ' A' ' 46' ' ' ILE . 47.7 ttt180 -60.62 -56.71 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.04 -55.4 6.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 78.8 t90 -49.39 -50.28 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.5 ttp -51.73 -46.04 63.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.2 m-30 -66.36 -7.5 19.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -106.87 -5.75 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.83 38.02 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.5 t -151.24 115.29 3.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 171.77 17.67 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.95 -29.76 7.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -67.99 -22.14 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtt -101.15 -29.84 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 21.9 mttt -40.08 120.38 1.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo -74.98 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -44.34 156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 65.52 -174.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.13 -100.65 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -41.14 158.21 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.579 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 146.13 32.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.16 158.49 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.95 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 158.55 98.93 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.982 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.55 87.89 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.995 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -62.6 139.37 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -150.35 112.75 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.562 ' ND2' HD11 ' A' ' 10' ' ' ILE . 9.2 t-20 -80.16 85.29 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 48.5 69.55 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 4.4 t70 85.98 -44.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.791 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.79 128.3 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.1 t80 -81.52 105.56 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 76' ' ' ILE . 74.3 m -76.08 -68.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.75 160.91 10.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -75.25 175.34 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 14.0 t80 -44.0 -40.66 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -52.91 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 58.6 m -57.59 -52.36 65.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 68.9 t80 -48.19 -59.94 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 33.6 t80 -53.37 -56.9 12.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -41.8 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ASN . 1.4 m -76.47 -26.08 55.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' PHE . 1.2 ttpp -60.63 -55.35 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.83 -24.6 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -94.87 -20.89 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 t30 75.3 36.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.9 p -113.33 6.48 17.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 2.8 t -37.29 -49.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 28.6 m-85 -53.58 -51.38 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' THR . 2.0 m -69.53 -38.14 77.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -53.34 -39.08 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.995 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.07 -26.76 28.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.79 40.34 1.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 10' ' ' ILE . 10.7 mt -109.37 59.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.62 149.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.0 t 66.12 153.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.44 -163.36 19.85 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.4 Cg_endo -74.97 75.89 3.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 1.6 m 165.5 104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.08 83.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.5 117.67 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -138.9 124.5 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.65 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.71 162.06 26.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -136.64 108.72 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.34 125.73 8.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.777 ' O ' HG23 ' A' ' 9' ' ' VAL . 48.1 mtp -84.06 164.46 19.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 8' ' ' MET . 5.6 t -162.31 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 102' ' ' LEU . 32.2 mm -65.39 75.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' VAL . 94.6 mtt180 -55.06 108.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.6 t -103.76 122.7 56.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 46' ' ' ILE . 4.7 m-30 -85.31 134.2 34.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.879 HG22 ' CD ' ' A' ' 27' ' ' GLN . 1.1 pp -136.52 141.48 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.09 74.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 22.0 t -38.3 -44.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB2' HG21 ' A' ' 47' ' ' THR . 0.5 OUTLIER -81.59 64.33 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.4 p -130.91 120.59 23.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.92 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 100.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -33.46 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.28 27.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mt -46.07 -56.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.94 -61.97 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.76 -49.56 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 62.5 mttt -55.51 -54.22 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.879 ' CD ' HG22 ' A' ' 14' ' ' ILE . 3.9 mt-30 -51.57 -40.08 59.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASP . 60.1 mt-30 -60.62 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.0 t0 -39.02 -35.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 72.4 t -71.19 -81.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.6 m -41.29 -49.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.478 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 9.9 mmt-85 -45.02 -56.48 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.9 -40.67 57.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -69.43 -43.42 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.6 mm-40 -60.84 -47.79 84.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.26 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.3 m-80 -103.63 12.55 34.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.1 mmmt 39.65 44.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 59.8 mt -86.72 150.46 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.1 mt-10 -71.37 128.6 36.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 34' ' ' LEU . 3.4 p90 -178.17 173.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -154.37 154.82 33.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -99.55 88.2 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 74.8 t -71.75 95.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -63.99 85.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' HG3' ' A' ' 53' ' ' ARG . 47.5 pt -59.22 -28.51 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -63.78 -46.6 84.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -64.66 -51.47 62.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.5 m -102.53 103.93 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.5 -50.04 60.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.89 -60.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -40.14 -51.92 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.737 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -61.32 -56.24 22.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -45.88 -46.4 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 91.4 t90 -51.79 -58.56 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 107.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.429 ' SD ' HG21 ' A' ' 60' ' ' VAL . 5.5 tmm? -44.66 -54.61 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -52.69 -19.08 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' TRP . 6.9 mttt -97.79 -21.39 16.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.72 44.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 71' ' ' PRO . 59.8 t -155.29 116.37 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.42 18.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.48 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.6 -33.06 74.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtm -82.93 -33.33 26.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 11.4 mttt -39.16 133.79 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.96 -53.15 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -168.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -109.44 47.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.59 82.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.5 m-80 68.69 148.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.683 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 148.78 35.98 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.11 157.93 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 168.68 24.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 163.93 89.57 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.023 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 24.2 mm-40 -141.3 73.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.966 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -50.91 143.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 19.0 m-85 -147.69 111.84 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.421 HD21 ' C ' ' A' ' 78' ' ' ASN . 0.3 OUTLIER -81.68 80.75 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 56.42 62.69 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 5.0 t70 86.21 -43.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.7 113.32 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.7 t80 -64.26 113.68 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 76' ' ' ILE . 85.7 m -78.02 -70.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.27 154.88 7.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -65.69 176.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 15.4 t80 -46.81 -44.76 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.34 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m -50.19 -61.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 84.0 t80 -44.61 -55.7 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -56.42 -45.82 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.39 -13.54 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASN . 58.0 m -99.55 -25.2 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -66.41 -41.46 89.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -53.14 -39.54 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.68 -11.15 23.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.0 OUTLIER 70.39 43.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.1 p -105.49 4.03 30.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 97' ' ' THR . 1.5 t -37.38 -45.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 38.6 m-85 -57.77 -53.26 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.7 t -67.82 -38.78 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.6 t80 -54.15 -32.2 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.966 ' CD2' HG21 ' A' ' 76' ' ' ILE . 3.7 mt -92.03 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.53 3.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 99' ' ' PHE . 17.9 mt -96.96 61.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.18 139.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 m 57.85 100.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 165.59 -170.76 40.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.112 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t -67.76 116.33 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.6 p -101.0 80.46 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -96.19 -60.44 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.63 159.63 16.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.06 102.31 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 82.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.41 127.26 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.34 150.5 19.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 mtm -96.7 119.86 35.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 t -84.74 110.59 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.0 mm -75.19 75.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -55.33 104.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -99.39 117.71 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.3 m-30 -81.08 130.92 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -136.58 143.88 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.76 90.64 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 27.2 p -69.0 64.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 159.8 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -123.81 -52.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 -53.38 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -59.17 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.09 -34.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.11 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.977 HG22 ' OE1' ' A' ' 27' ' ' GLN . 80.1 mt -60.95 -44.84 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -58.4 7.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -54.94 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 mttt -48.1 -54.27 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.977 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.7 mt-30 -47.48 -37.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' VAL . 7.4 mt-30 -70.98 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.1 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.2 t -68.46 -88.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.15 -53.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.9 mmt-85 -38.27 -61.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' A' ' 98' ' ' VAL . 25.0 t80 -51.97 -40.74 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -66.97 -55.03 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 59.5 mm-40 -52.76 -53.6 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.47 47.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.3 m-80 -108.02 20.85 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 34.25 50.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 99' ' ' PHE . 36.8 mt -92.17 152.53 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 132.2 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.922 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 9.9 p90 -179.27 177.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.09 149.05 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.39 88.65 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 97.4 t -73.24 89.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -58.91 98.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.57 HD12 ' HG3' ' A' ' 53' ' ' ARG . 42.5 pt -74.08 -26.77 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.79 -42.51 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 m -95.79 87.06 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.62 -52.83 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -43.66 -51.39 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -54.67 -43.72 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.246 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 46' ' ' ILE . 33.7 ttp180 -61.68 -64.06 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -42.99 -47.52 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -50.06 -55.16 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.13 -52.54 25.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 3.3 m-85 -55.31 -16.35 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.0 OUTLIER -116.98 42.45 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' HB3' ' A' ' 71' ' ' PRO . 73.0 t -151.36 117.05 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.33 22.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.11 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.85 -18.76 62.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 13.0 mmtt -99.47 -32.5 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.2 mttt -40.35 119.13 1.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo -74.97 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 68' ' ' GLN . 49.0 m 41.21 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 67' ' ' THR . 25.4 pt20 -151.74 -50.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . -132.6 151.86 20.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.6 OUTLIER 62.08 133.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.767 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 137.75 22.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.3 mt -123.87 158.36 60.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 168.98 23.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 163.69 90.12 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.923 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 21.2 mm-40 -141.12 77.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -54.43 139.12 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 21.2 m-85 -148.46 105.12 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -77.48 93.99 4.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.23 -89.71 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -140.19 15.39 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.63 123.79 49.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.0 t80 -63.83 110.67 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.8 m -79.04 -74.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.72 152.09 6.64 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -67.92 176.98 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 37.1 t80 -45.4 -44.11 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -43.71 -55.57 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.9 m -56.49 -58.71 6.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 87.8 t80 -40.99 -55.31 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.22 -43.61 97.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -17.85 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -99.05 -43.56 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.3 mtmp? -45.36 -46.77 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -41.97 -46.64 4.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -93.87 -18.22 22.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 95' ' ' SER . 4.0 t-20 81.78 52.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.4 p -113.09 5.36 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 33' ' ' PHE . 1.5 t -37.67 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 39' ' ' ILE . 83.7 m-85 -46.24 -53.96 9.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -46.46 73.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -47.01 -33.65 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.87 ' CD2' HG21 ' A' ' 76' ' ' ILE . 1.1 mt -93.0 -25.78 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.49 41.41 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.68 55.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -164.08 157.88 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 m 60.98 88.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.27 -163.6 28.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.3 p -115.87 163.63 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.82 104.97 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -163.09 161.04 25.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.06 151.0 27.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.6 106.82 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.66 75.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -104.26 -72.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.94 134.92 7.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 mtm -96.83 127.96 43.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 2.7 t -92.1 111.93 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 102' ' ' LEU . 30.8 mm -75.61 78.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.22 102.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 76' ' ' ILE . 41.2 t -98.44 104.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.2 m-85 -70.93 132.6 45.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -137.66 150.34 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.57 78.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -39.06 -31.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 47' ' ' THR . 1.0 OUTLIER -114.41 86.92 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -122.45 -59.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.09 9.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.605 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.8 m-85 -88.77 83.77 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' HE2' ' A' ' 24' ' ' LYS . 7.6 p -43.65 -39.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.24 -46.23 65.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 73' ' ' PRO . 56.2 mt -63.28 -47.99 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.656 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -51.92 -40.03 60.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 82.7 mttt -48.9 -52.87 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.59 ' O ' HG13 ' A' ' 31' ' ' VAL . 26.4 mt-30 -39.62 -35.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.3 mt-30 -72.46 -69.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' GLN . 20.0 t0 -36.53 -33.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' GLN . 56.5 t -62.97 -66.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -64.73 -47.34 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 8.4 mmm180 -38.31 -53.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 22.0 t80 -57.9 -49.79 75.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 14.7 mt -59.91 -46.15 90.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 61.5 mm-40 -61.26 -47.49 85.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.33 -23.19 64.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 34.1 m-80 -102.02 7.54 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER 46.05 42.05 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.73 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 67.8 mt -90.98 148.07 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -72.46 136.84 46.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 6.4 p90 -179.53 172.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 13.1 pt-20 -150.08 141.81 23.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -89.01 86.53 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 73.4 t -69.15 93.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 48.2 t0 -64.78 96.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 15' ' ' ALA . 4.2 pt -68.2 -34.3 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.6 OUTLIER -57.92 -44.96 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.426 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 14.7 mmt -72.68 -49.49 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.0 m -96.88 107.97 20.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -41.44 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -51.33 -67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -38.74 -58.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.74 -53.15 12.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -50.92 -57.69 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 36.4 t90 -49.26 -47.88 46.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.0 ttp -54.06 -41.79 68.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.7 m-30 -72.16 -3.06 21.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -106.35 -14.73 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -116.04 39.11 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.733 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.8 t -150.78 115.87 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.07 8.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.0 -22.38 65.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -97.87 -31.58 12.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -40.14 125.45 1.68 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.03 163.29 35.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.4 m 40.92 -95.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' PRO . 7.8 pt20 -166.36 142.06 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . 92.18 -166.67 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 11.2 p30 -40.13 157.47 0.16 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.733 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.05 145.64 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.46 158.45 61.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.0 169.58 22.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.98 159.11 98.49 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.012 -0.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -140.52 92.4 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.956 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -63.61 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 9.1 m-85 -155.23 104.31 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 33.2 t-20 -79.82 89.26 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 81' ' ' ARG . . . 63.38 72.48 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 55' ' ' TRP . 4.6 m-20 49.08 22.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 78' ' ' ASN . 1.6 ttt-85 -110.4 111.32 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.2 t80 -59.71 120.91 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.34 -59.55 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.62 158.72 9.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.4 -169.64 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 27.0 t80 -50.08 -42.51 50.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -50.63 -56.45 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -55.74 -53.25 58.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 69.4 t80 -45.92 -56.97 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -55.4 -54.32 45.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -46.29 -45.41 17.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -74.23 -28.39 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -59.9 -46.57 88.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.17 -29.09 67.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 97' ' ' THR . 16.0 t -100.57 6.09 44.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 49.87 55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 95' ' ' SER . 11.9 p -125.83 3.71 7.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.567 HG13 HD11 ' A' ' 102' ' ' LEU . 2.4 t -36.02 -56.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 39.1 m-85 -48.31 -49.75 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -69.93 -41.54 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.0 OUTLIER -52.77 -36.72 58.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.956 HD23 HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -86.07 -29.48 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.56 42.57 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 HD11 ' A' ' 10' ' ' ILE . 16.2 mt -109.27 57.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.19 175.77 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.3 p 44.66 83.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.59 -151.24 23.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.0 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.18 100.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 t 62.58 138.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.36 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -172.86 81.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.11 -97.97 1.83 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.53 124.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -133.33 164.93 26.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.88 49.1 0.88 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' VAL . 50.7 mtm -127.44 160.95 29.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 8' ' ' MET . 3.2 t -151.73 109.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.766 HG21 HD22 ' A' ' 102' ' ' LEU . 33.1 mm -70.95 75.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -53.16 104.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -97.2 118.04 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 3.7 m-85 -80.38 133.93 35.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -137.99 147.91 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.753 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -131.71 82.09 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.65 -43.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.48 98.97 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 19' ' ' GLY . 85.3 p -129.7 -71.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . 143.76 -28.84 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HB2' HD12 ' A' ' 23' ' ' ILE . 12.7 m-85 -100.87 91.42 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.02 -32.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.27 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 27' ' ' GLN . 63.6 mt -60.27 -45.52 96.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -50.59 -59.01 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -59.37 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.7 mttt -48.82 -57.83 5.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.647 ' O ' HG12 ' A' ' 31' ' ' VAL . 24.2 mt-30 -44.97 -39.64 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ASP . 1.8 mt-30 -69.82 -67.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -37.39 -34.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.9 t -63.26 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.12 -51.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -39.3 -54.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -58.93 -37.88 77.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -70.65 -45.98 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 52.3 mm-40 -61.5 -50.06 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.37 67.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.3 m-80 -104.87 11.58 33.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 4.8 mmtt 39.22 52.23 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.561 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 64.8 mt -94.59 155.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.14 128.03 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.9 p90 -178.5 176.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 7.0 pt-20 -158.2 147.64 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.48 97.39 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 62.1 t -83.2 101.84 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.08 103.42 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.753 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 20.5 pt -83.33 -14.1 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.39 -46.61 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 mmt -74.79 -49.18 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.1 m -95.94 102.04 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -52.6 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -60.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -39.45 -50.88 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 5.8 ttp180 -61.15 -57.19 13.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -44.78 -46.04 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.735 ' CZ2' ' ND2' ' A' ' 59' ' ' ASN . 86.2 t90 -53.82 -57.21 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 107.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.514 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.5 tmm? -48.7 -50.68 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.3 -16.83 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -99.92 -15.32 18.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.735 ' ND2' ' CZ2' ' A' ' 55' ' ' TRP . 3.0 m120 -111.52 36.07 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.3 t -156.02 115.54 2.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.62 8.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.01 -30.67 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.6 mmtt -89.06 -30.42 18.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.04 125.04 1.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 173.13 15.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.5 m 35.91 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.9 pt20 -166.08 139.29 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . 91.86 -165.05 29.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.1 m-20 -40.37 157.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.97 133.82 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.568 1.825 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.23 158.59 36.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 158.52 98.93 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.004 0.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -138.45 83.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.826 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -62.16 147.82 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -154.34 112.67 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -78.08 81.45 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 -89.63 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -136.23 14.65 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.02 120.56 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.7 t80 -54.09 114.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.714 ' SG ' HD23 ' A' ' 102' ' ' LEU . 52.7 t -81.53 -77.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.8 147.47 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.76 -176.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 18.2 t80 -53.58 -44.07 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -43.22 -55.79 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 91' ' ' GLU . 58.1 m -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.693 ' CD2' HG22 ' A' ' 30' ' ' VAL . 2.5 t80 -38.38 -44.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.09 -39.74 60.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.7 tt0 -61.11 -13.85 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -100.37 -45.04 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 89' ' ' PHE . 5.8 mtmp? -46.23 -39.17 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.96 -40.81 81.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.73 11.06 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' SER . 22.4 m-20 50.35 57.42 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.353 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.43 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 20.2 p -120.69 1.96 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 93' ' ' LYS . 2.7 t -38.07 -45.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 82.0 m-85 -57.12 -54.4 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 t -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 1.6 t80 -59.02 -36.08 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -92.32 3.58 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.55 37.24 35.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.9 mt -103.1 138.11 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 105' ' ' LYS . 5.8 ttmt 67.11 75.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.59 166.51 2.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 57.03 -161.14 8.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -40.66 0.85 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.3 p 55.96 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.64 -58.12 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.9 m -83.68 139.14 32.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -163.29 124.24 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.96 144.54 0.61 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 164.41 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m 58.45 103.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.63 -160.33 29.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 mtm -97.06 155.78 16.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -151.38 119.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 102' ' ' LEU . 41.9 mm -80.52 84.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 42' ' ' GLU . 78.7 mtp85 -63.1 100.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ILE . 75.3 t -96.43 108.27 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -73.89 130.44 39.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pp -137.93 148.31 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.68 88.03 2.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 69.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.3 t -178.81 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.0 p -43.95 110.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -44.05 -51.99 7.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HB2' HD12 ' A' ' 23' ' ' ILE . 94.6 m-85 -37.54 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.56 -44.23 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -47.19 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.677 HD12 ' HB2' ' A' ' 20' ' ' PHE . 73.7 mt -53.82 -53.25 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.85 -58.85 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.93 -54.92 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 82.0 mttt -58.71 -43.24 90.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 24.2 mt-30 -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.4 mm100 -83.83 -56.44 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' GLN . 22.8 t0 -39.12 -32.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' LYS . 69.2 t -66.64 -88.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.64 -55.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.5 mmt180 -37.13 -61.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -51.9 -40.37 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 39' ' ' ILE . 13.4 mt -68.64 -57.08 6.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -50.92 -51.6 50.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.19 -21.84 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m-80 -111.09 25.94 11.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 33.78 39.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.79 HG21 HD22 ' A' ' 34' ' ' LEU . 14.4 mt -82.95 147.35 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 3.0 pt-20 -81.79 134.77 35.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.741 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 26.8 p90 -176.27 177.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 7.8 pt-20 -148.99 144.8 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.55 89.35 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.6 83.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.9 t0 -56.73 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' A' ' 15' ' ' ALA . 8.4 pt -71.72 -24.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.29 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.443 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 20.5 mmt -68.53 -44.64 74.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.7 m -109.88 114.49 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.58 -55.2 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 2.6 tt0 -40.92 -61.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 89.3 mm-40 -37.63 -54.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG3' HD12 ' A' ' 46' ' ' ILE . 9.6 ttp180 -56.2 -52.01 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -51.89 -56.58 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 48.5 t90 -48.81 -50.87 32.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 107.972 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.7 ttp -48.83 -47.57 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 6.0 m-30 -66.43 -9.02 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -100.38 -7.63 24.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.594 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -123.66 35.05 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.9 t -149.06 116.01 3.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -75.04 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.71 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.99 -23.87 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 13.8 mmtt -93.38 -32.21 14.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 18.4 mttt -39.46 134.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -75.02 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -56.36 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -171.39 164.71 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.57 -89.12 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 m120 -110.27 154.67 42.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.684 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 147.07 33.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -124.52 158.0 63.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.95 169.01 23.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.98 157.76 99.42 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.95 -0.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' OE1' HG21 ' A' ' 60' ' ' VAL . 11.0 mm-40 -139.94 85.09 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.845 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -61.38 138.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 9.8 m-85 -147.69 109.73 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -80.63 89.37 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.54 -90.62 1.04 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -136.14 12.22 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.38 117.12 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.1 t80 -59.93 116.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.8 m -81.19 -75.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.6 152.61 7.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -71.84 178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.797 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 28.1 t80 -47.16 -33.93 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 6.0 m -67.36 -61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 2.4 t80 -37.88 -47.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.05 -50.63 67.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -17.45 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ASN . 28.3 m -97.43 -22.68 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -66.52 -61.46 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.59 -15.95 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 -9.59 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' SER . 9.3 m120 59.38 41.13 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.8 p -116.29 -2.63 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.713 ' CG1' HD11 ' A' ' 102' ' ' LEU . 22.0 t -37.01 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 48.7 m-85 -46.82 -53.76 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -67.28 -44.3 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 3.7 t80 -51.64 -38.0 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.845 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -83.91 -26.71 29.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.14 46.07 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 99' ' ' PHE . 15.1 mt -114.27 57.48 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.82 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.58 89.99 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.22 -174.43 38.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 100.83 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.6 p -168.24 157.06 9.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 m -167.01 136.31 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.03 128.26 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.12 132.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.93 -163.37 34.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.44 155.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 -86.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.9 132.34 6.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.741 ' O ' HG23 ' A' ' 9' ' ' VAL . 45.8 mtp -70.94 158.9 35.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 8' ' ' MET . 3.7 t -161.57 101.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 102' ' ' LEU . 33.8 mm -65.39 75.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HB3' HG21 ' A' ' 44' ' ' VAL . 98.7 mtt180 -55.24 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.7 t -88.02 126.79 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 5.3 m-30 -88.76 132.53 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.45 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.3 pp -133.33 150.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.97 80.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 44.1 p -38.97 -38.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -100.05 96.91 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 m -156.85 120.3 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -71.93 59.87 1.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.2 m-85 -163.58 83.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.04 -36.42 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.2 54.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.835 HD12 ' HB2' ' A' ' 20' ' ' PHE . 93.9 mt -64.42 -43.21 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -54.0 -64.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -46.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 30' ' ' VAL . 51.2 mttt -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.682 ' OE1' HG22 ' A' ' 23' ' ' ILE . 21.5 mt-30 -55.23 -38.7 68.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -69.01 -61.5 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -40.02 -33.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 26' ' ' LYS . 68.0 t -66.66 -87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.2 -55.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.7 mmt180 -37.3 -55.71 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -58.21 -44.8 88.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.5 mt -64.12 -46.56 83.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 17.4 mm-40 -60.71 -50.4 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -25.48 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.5 m-80 -106.43 11.87 30.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.8 mmmt 39.7 49.84 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' A' ' 99' ' ' PHE . 69.4 mt -91.4 154.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.0 mt-10 -72.76 127.34 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.8 p90 -178.82 177.16 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' OE2' HG22 ' A' ' 44' ' ' VAL . 9.2 pt-20 -159.67 141.23 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.21 85.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 40.2 t -70.75 97.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' SER . 54.3 t0 -62.98 95.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 13' ' ' PHE . 5.9 pt -70.1 -28.82 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -49.62 68.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.455 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 16.9 mmt -81.93 -44.91 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 69.6 m -55.86 -40.93 73.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 68.99 -62.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.91 -39.93 83.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 23.7 mm-40 -62.9 -34.8 78.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -63.98 -68.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -41.1 -45.83 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 79.4 t90 -53.08 -52.72 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -48.92 -51.32 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -56.93 -15.09 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.97 -7.43 25.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -121.1 37.09 4.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 59' ' ' ASN . 92.6 t -154.1 114.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 -31.13 6.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.83 -23.22 66.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -100.08 -24.92 14.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 16.8 mttt -44.74 121.07 4.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.99 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.2 m -40.4 147.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 65.26 -173.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . -78.33 -93.02 0.29 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.3 p30 -39.54 147.08 0.33 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 18.5 Cg_endo -74.93 137.75 22.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 mt -117.8 159.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.94 160.52 96.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.989 -0.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 38.7 mm-40 -137.02 69.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.858 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -44.94 137.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 20.3 m-85 -147.24 107.24 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -80.11 92.17 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 53.03 51.7 44.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 3.1 m-20 86.27 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -56.34 113.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.92 116.54 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.428 ' HB2' HG22 ' A' ' 76' ' ' ILE . 53.9 m -90.15 -75.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 108.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.18 151.62 6.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -65.25 175.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 19.5 t80 -45.04 -48.54 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -51.57 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -55.04 -60.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.7 t80 -45.65 -58.94 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -52.79 -53.53 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -42.64 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -19.87 58.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 1.8 ttpp -67.92 -49.15 63.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -57.45 -27.47 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -101.14 8.76 42.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 45.48 57.49 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' SER . 1.3 p -127.84 3.63 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -38.03 -49.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 39' ' ' ILE . 47.6 m-85 -52.78 -54.12 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.89 87.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -54.76 -36.84 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.858 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.6 mt -84.72 -17.62 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 16.2 22.24 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' PHE . 20.0 mt -83.94 137.74 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 tttt 58.35 96.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.5 t 176.41 79.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.62 -152.11 18.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 64.32 6.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.758 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -147.72 142.08 26.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.1 t 56.08 166.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -126.62 110.71 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m 59.1 90.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.75 -167.67 1.56 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.579 1.174 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 p -89.82 131.94 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -136.96 89.44 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.52 149.97 51.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 mtp -99.59 119.34 37.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -81.36 109.17 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -76.89 79.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' PHE . 99.3 mtt180 -57.52 108.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ILE . 84.8 t -105.98 121.3 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.65 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -81.68 136.21 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.89 150.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 86.73 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.25 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -111.09 110.61 21.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CB ' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -162.18 111.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.22 -54.78 1.57 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HB2' HD12 ' A' ' 23' ' ' ILE . 49.2 m-85 -61.83 125.57 24.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -87.79 -43.13 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.7 -36.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.97 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.0 mt -64.14 -53.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -42.88 -62.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.3 mptp? -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 71.3 mttt -42.17 -57.11 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.97 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -45.82 -40.83 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.9 mt-30 -68.36 -67.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -38.79 -30.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 26' ' ' LYS . 44.5 t -70.26 -73.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -54.9 -50.34 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.4 mmt180 -39.84 -54.74 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD1' HG11 ' A' ' 98' ' ' VAL . 39.3 t80 -56.73 -50.14 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' LYS . 19.0 mt -57.65 -47.89 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.85 -49.71 76.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -103.31 9.2 38.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 43.59 43.19 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 99' ' ' PHE . 68.0 mt -90.76 148.9 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 132.55 44.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CB ' HD13 ' A' ' 34' ' ' LEU . 4.3 p90 -179.79 174.72 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.18 150.31 28.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.9 88.62 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.508 HG11 ' CE1' ' A' ' 13' ' ' PHE . 92.4 t -68.44 83.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.23 104.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 13' ' ' PHE . 9.4 pt -85.36 -21.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -63.19 -49.34 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 mmt -78.65 -53.79 6.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.2 m -83.58 91.91 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.62 -51.72 62.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -39.46 -61.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -43.86 -53.85 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -49.87 -64.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 71.2 mm-40 -44.01 -52.76 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 90.6 t90 -47.81 -54.87 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.9 ttp -46.61 -54.53 9.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.83 -17.19 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -99.15 -16.39 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -114.12 45.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 56.2 t -156.21 115.96 2.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.47 -21.81 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -96.84 -32.4 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mttt -41.81 130.34 2.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.97 -86.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -103.04 96.17 6.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.21 -115.54 0.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 24.7 p30 -86.36 157.47 56.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 147.88 34.63 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.4 158.87 71.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.03 169.93 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 158.57 98.91 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.029 -0.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -140.28 88.7 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 10' ' ' ILE . 2.2 mp -63.32 149.96 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 82' ' ' TYR . 14.6 m-85 -158.27 120.51 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.54 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 1.8 m120 -88.46 104.51 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 40.72 60.53 2.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.9 t70 85.66 -43.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 137.71 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CD1' ' CE1' ' A' ' 77' ' ' PHE . 5.9 t80 -88.95 133.3 34.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.95 -72.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.15 165.15 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.84 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.9 t80 -49.91 -51.76 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -39.32 -64.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 2.1 m -50.6 -59.66 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 92.7 t80 -46.47 -58.13 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CD2' ' OH ' ' A' ' 86' ' ' TYR . 26.1 t80 -56.79 -43.99 81.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.2 -14.04 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ASN . 15.6 m -98.6 -46.45 5.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -45.71 -38.57 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.6 -40.95 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . 28.3 t -101.97 7.66 41.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.2 t-20 54.36 46.8 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.5 p -106.57 1.26 25.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.679 HG13 HD11 ' A' ' 102' ' ' LEU . 2.1 t -34.95 -55.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 39' ' ' ILE . 96.2 m-85 -51.08 -52.64 41.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.0 m -65.9 -38.84 89.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.5 t80 -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.733 HD22 HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -99.99 18.06 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.62 23.29 58.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 102' ' ' LEU . 14.8 mt -87.83 140.8 29.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER 50.8 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 t 54.99 88.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.18 -156.28 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.79 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.6 m -74.02 124.84 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.5 t -109.22 84.96 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -144.15 -58.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.87 97.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.76 120.4 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 p -103.5 134.0 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 176.09 152.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.22 -179.17 21.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.797 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.8 mtm -104.56 163.99 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 8' ' ' MET . 3.2 t -163.47 101.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 102' ' ' LEU . 37.7 mm -66.25 77.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' VAL . 96.3 mtt180 -55.0 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -95.85 114.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.4 m-30 -81.03 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.849 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.2 pp -136.72 149.79 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.66 90.95 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -67.82 68.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 47' ' ' THR . 3.4 t -176.44 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -39.01 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -47.44 -27.38 4.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.577 ' HB2' HD12 ' A' ' 23' ' ' ILE . 3.5 m-85 -62.38 81.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -44.63 -38.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.79 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' OE1' ' A' ' 27' ' ' GLN . 90.2 mt -58.88 -37.38 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -72.47 -31.57 65.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -69.93 -46.1 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -60.08 -48.09 83.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.885 ' OE1' HG22 ' A' ' 23' ' ' ILE . 7.7 mt-30 -44.23 -35.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.4 mt-30 -70.27 -66.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.85 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.7 t -69.67 -73.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.9 m -56.37 -50.0 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.1 mmt180 -37.86 -52.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -59.97 -44.81 94.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.0 mt -64.28 -47.68 78.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 32.9 mm-40 -60.17 -49.5 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.25 -24.78 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.6 m-80 -106.2 12.89 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.5 50.82 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 99' ' ' PHE . 77.8 mt -94.53 151.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 8' ' ' MET . 5.3 mt-10 -71.86 130.35 40.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 4.1 p90 -178.59 173.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -153.31 143.71 22.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.52 86.8 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 90.9 t -70.07 85.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -56.09 92.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' ILE . 32.0 pt -67.26 -16.06 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.432 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -81.36 -30.65 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 mmt -99.95 -48.57 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.39 -41.11 96.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ARG . 2.8 tt0 66.55 -72.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.5 tm-20 -40.27 -46.13 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -62.12 -42.65 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.1 ttt180 -49.45 -64.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.21 -51.91 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 33.9 t90 -49.62 -47.21 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.5 ttp -54.42 -45.47 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.2 m-85 -66.05 -8.94 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -103.07 -9.66 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.5 m-80 -121.29 43.66 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 71' ' ' PRO . 76.7 t -156.04 116.01 2.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -74.94 168.61 24.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.08 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.21 -10.72 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.2 mmmt -107.76 -30.74 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.8 mttt -39.15 123.15 1.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.01 164.54 33.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' PRO . 52.2 m 38.09 -102.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -177.71 124.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . 114.32 82.46 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' GLY . 91.1 m-20 58.77 157.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.736 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.54 158.43 36.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 169.7 22.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 160.47 96.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.02 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -140.72 83.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 3.1 mp -59.95 142.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -152.43 118.24 5.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.9 t-20 -86.74 86.47 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.11 62.4 6.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER 84.23 -43.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -49.86 121.7 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.546 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.5 t80 -72.16 111.47 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.77 -68.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.98 160.47 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 43.5 p30 -79.72 178.64 8.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 21.5 t80 -42.01 -45.74 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.91 -54.64 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -56.19 -57.84 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 83.4 t80 -44.26 -56.67 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -56.28 -55.49 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.0 -48.53 21.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 -26.97 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.17 -22.19 60.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' THR . 8.7 t -103.8 3.97 34.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 52.05 44.43 29.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 95' ' ' SER . 22.0 p -115.02 4.11 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 3.0 t -37.12 -50.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 104' ' ' LEU . 62.0 m-85 -53.48 -50.32 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' THR . 19.9 m -70.29 -38.38 75.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.7 OUTLIER -53.41 -38.92 63.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.82 -23.66 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.2 43.86 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 99' ' ' PHE . 41.0 mt -101.76 -107.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 tttt 63.3 122.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.13 92.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 108' ' ' PRO . . . -151.91 134.13 4.45 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.9 -35.7 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.85 109.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.037 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.92 131.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.5 -59.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -136.57 109.26 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.42 -179.57 23.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 60.01 151.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -163.55 -60.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 134.61 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 14.8 mtm -99.2 122.0 41.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.37 114.14 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' A' ' 102' ' ' LEU . 32.0 mm -77.97 78.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 93.7 mtt180 -56.5 98.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 71.9 t -95.63 97.9 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' CZ ' HG11 ' A' ' 44' ' ' VAL . 3.2 m-85 -65.56 136.58 56.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -140.78 161.95 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HB1' ' OG1' ' A' ' 47' ' ' THR . . . -132.45 87.0 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.6 t -37.31 -83.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -61.38 80.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' SER . 29.3 t -131.3 108.1 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.37 84.46 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 20.9 m-85 -154.79 -46.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 80.62 -53.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -58.14 -47.4 83.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 73' ' ' PRO . 91.8 mt -48.43 -48.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -46.9 -63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.5 -58.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 30' ' ' VAL . 91.1 mttt -51.92 -55.32 20.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.2 mt-30 -47.6 -36.48 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.0 mt-30 -73.22 -66.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.5 t70 -36.41 -34.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.0 t -62.96 -88.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.939 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -50.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' VAL . 14.3 mmt180 -37.45 -56.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.57 -46.04 77.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.7 mt -59.16 -54.2 49.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.6 mm-40 -56.68 -51.89 67.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.4 -24.36 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -102.59 10.19 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.86 49.35 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.544 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 81.6 mt -100.85 148.62 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 8' ' ' MET . 2.1 pt-20 -84.3 136.24 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.939 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 46.1 p90 -170.65 -173.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.8 pt-20 -155.97 143.75 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.75 84.92 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 13' ' ' PHE . 27.9 t -67.58 93.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 49' ' ' SER . 46.2 t0 -65.47 97.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 53' ' ' ARG . 2.1 pt -67.84 -37.82 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.421 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -57.64 -49.27 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.71 -52.04 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m -54.25 -39.71 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 67.05 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -46.25 -54.33 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -50.63 -46.13 58.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 47.3 ttt180 -50.6 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -42.72 -54.51 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 62.2 t90 -52.0 -51.93 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 45.2 ttp -49.71 -48.4 49.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.4 m-30 -62.3 -11.86 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -99.97 -7.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.97 38.89 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.719 HG11 ' HB3' ' A' ' 71' ' ' PRO . 53.7 t -150.34 116.31 3.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.71 22.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.37 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.447 1.761 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.73 -19.3 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' LYS . 27.4 mmtt -98.52 -31.93 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LYS . 32.0 mttt -39.94 132.5 1.48 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.466 ' OG1' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -108.61 -166.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -96.44 135.97 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.73 -97.67 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 0.4 OUTLIER -114.68 164.03 17.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.719 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 147.98 34.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 72.8 mt -126.11 158.66 65.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 169.17 23.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.95 158.78 98.78 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.024 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -140.49 89.43 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.021 HG21 HD23 ' A' ' 102' ' ' LEU . 2.0 mp -63.2 140.55 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 10.6 m-85 -154.1 112.44 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 26.6 t-20 -86.71 100.43 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.32 -93.16 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.99 14.92 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 120.27 41.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 4.3 t80 -61.13 121.49 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.573 ' HB2' HG22 ' A' ' 76' ' ' ILE . 85.1 m -94.25 -74.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.3 164.94 23.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -87.55 -173.43 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 51.0 t80 -48.41 -35.69 13.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.69 -52.4 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -64.71 -62.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CZ ' ' CE ' ' A' ' 93' ' ' LYS . 3.1 t80 -37.55 -44.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.94 -45.81 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.5 mt-10 -62.46 -15.07 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ASN . 39.3 m -98.34 -25.2 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CE ' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -67.66 -58.01 5.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -53.56 -24.59 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.98 -19.29 18.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 0.7 OUTLIER 71.96 48.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 6.8 p -124.58 0.1 8.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 102' ' ' LEU . 6.5 t -34.93 -56.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 66.5 m-85 -48.24 -51.45 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.4 t -68.31 -40.68 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 2.6 t80 -55.76 -35.85 66.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -85.4 -22.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.02 37.15 4.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 106' ' ' SER . 91.4 mt -97.11 -107.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 66.92 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -38.86 109.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 56.67 161.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.86 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 m -39.38 105.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.64 -58.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.22 95.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -130.51 -55.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.22 -165.44 1.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -153.56 130.59 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.63 144.71 41.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.13 140.07 15.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mtm -92.91 120.07 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -78.1 77.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -57.44 108.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 10' ' ' ILE . 77.9 t -106.3 123.68 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -85.03 130.73 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 148.81 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -118.28 85.09 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.0 t -39.05 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.71 -81.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -162.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -154.8 31.14 0.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 10.2 m-85 -156.69 94.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -43.31 -28.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 20' ' ' PHE . . . -62.83 -49.48 74.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 27' ' ' GLN . 28.6 mt -57.87 -41.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -36.06 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -63.75 -46.38 85.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.3 mttt -61.39 -48.88 79.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -44.57 -34.27 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.7 mt-30 -69.91 -69.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.8 t0 -39.11 -30.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.8 t -67.3 -65.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.3 m -64.49 -49.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.7 mmt180 -40.37 -53.25 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 98' ' ' VAL . 40.8 t80 -55.9 -50.0 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 41' ' ' PHE . 20.6 mt -58.07 -49.01 78.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.91 -49.18 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.57 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -101.96 10.04 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 22.2 mmmt 43.49 40.82 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 66.9 mt -87.89 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.45 134.11 43.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 34' ' ' LEU . 5.9 p90 -179.29 174.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' OE1' HG22 ' A' ' 44' ' ' VAL . 5.8 pt-20 -153.25 141.93 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 85.28 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' OE1' ' A' ' 42' ' ' GLU . 74.0 t -67.31 84.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -55.43 102.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 73' ' ' PRO . 6.0 pt -77.42 -33.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.56 85.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.51 -50.19 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -101.94 112.22 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.61 -49.26 75.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -43.08 -58.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -47.14 -47.57 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' MET . 3.1 ttt180 -55.54 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -39.52 -51.22 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 79.8 t90 -46.1 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ASN . 61.5 ttp -53.73 -54.06 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -53.11 -18.32 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -96.78 -19.85 18.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 59' ' ' ASN . 1.4 m-80 -108.62 39.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 80.8 t -155.95 115.63 2.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.55 22.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.89 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.59 -16.01 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -103.7 -29.87 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -39.92 119.96 1.44 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.1 Cg_endo -75.03 176.97 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 66' ' ' PRO . 35.7 m 36.85 -100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -164.63 128.21 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.3 -161.27 19.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.9 p30 -42.6 156.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.91 138.76 23.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -119.42 158.41 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.04 169.13 23.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 156.98 99.89 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.992 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.598 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 9.5 mm-40 -140.45 76.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.636 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -51.96 150.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 34.3 m-85 -155.73 108.1 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -81.04 93.35 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.49 56.36 22.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER 83.31 -35.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.477 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 3.6 ttt180 -51.5 127.07 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.07 86.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.632 ' CB ' HG22 ' A' ' 76' ' ' ILE . 50.9 t -57.45 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.16 160.21 14.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -75.08 -178.67 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 24.8 t80 -51.37 -43.16 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -56.12 9.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -53.04 -59.42 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 50.7 t80 -44.63 -55.93 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -56.42 -53.19 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -49.06 14.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -73.07 -29.37 62.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.56 -46.96 85.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -2.6 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.3 t-20 60.16 53.29 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 17.9 p -124.3 4.36 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -36.19 -53.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 63.8 m-85 -50.88 -50.46 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t -69.54 -40.11 77.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -53.09 -34.64 57.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -89.76 -23.12 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.45 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 99' ' ' PHE . 62.0 mt -93.59 -106.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 63.84 163.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 m 63.23 91.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.05 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.89 155.67 0.43 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m 59.88 89.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -145.95 112.97 6.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 102' ' ' LEU . 30.4 mm -76.71 78.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 96.5 mtt180 -57.97 102.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.417 HG22 ' CG1' ' A' ' 76' ' ' ILE . 31.6 t -96.64 112.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.1 m-30 -76.61 129.39 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -134.47 143.07 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -115.6 81.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' ALA . 5.7 t -38.51 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -120.98 86.09 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -114.87 -53.46 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.97 -58.23 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.86 101.34 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.28 -39.69 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.3 -47.57 13.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' OE1' ' A' ' 27' ' ' GLN . 56.6 mt -54.36 -44.72 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.72 5.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -52.07 13.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.6 mttt -50.98 -48.98 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.731 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -55.7 -35.69 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.0 mt-30 -69.33 -66.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -38.54 -31.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 26' ' ' LYS . 78.8 t -68.53 -74.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -52.79 -47.76 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 13.3 mmt-85 -44.48 -56.66 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -51.79 -50.55 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 39' ' ' ILE . 23.5 mt -56.15 -51.36 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.87 -50.52 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.85 66.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -101.75 7.3 41.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 49.86 41.53 22.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 88.6 mt -94.79 144.5 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.21 137.17 37.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -173.99 -179.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.472 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 11.3 pt-20 -150.93 142.53 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.99 90.47 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 55.5 t -72.08 94.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -64.01 91.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.703 HD12 ' HG3' ' A' ' 53' ' ' ARG . 44.5 pt -65.76 -29.02 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -47.61 82.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.13 -53.21 32.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -97.07 104.84 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.68 -51.24 61.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -44.22 -59.98 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' OE1' ' CG1' ' A' ' 44' ' ' VAL . 35.9 mm-40 -38.7 -50.8 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.703 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.7 ttp-105 -63.24 -55.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -47.57 -45.97 27.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 73.2 t90 -53.87 -58.01 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.413 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.4 tmm? -46.36 -50.39 16.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.5 m-30 -56.81 -15.38 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -99.64 -12.37 20.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.629 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.1 m-80 -118.83 44.17 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.5 t -155.18 115.66 2.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.65 8.95 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 28.1 mmtt -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 30.6 mttt -39.84 120.15 1.43 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 68.3 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.792 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 136.07 19.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 mt -114.6 158.47 40.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.0 23.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 160.22 96.87 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.984 0.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.2 mm-40 -140.23 73.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.94 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -51.17 141.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 18.8 m-85 -148.38 110.72 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 34.4 t-20 -85.55 98.51 10.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.12 -91.7 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.78 13.86 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 127.66 53.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -66.15 105.35 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 m -70.79 -75.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.9 150.25 5.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -69.31 -178.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 29.9 t80 -49.08 -35.14 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -50.73 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.87 -60.19 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.4 t80 -45.21 -59.66 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 4.8 t80 -51.4 -50.33 59.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.68 -16.35 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' HG ' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -94.84 -44.93 7.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 6.5 mtmp? -47.06 -40.85 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.4 -33.14 70.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 92' ' ' SER . 23.3 t -100.9 -1.56 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.7 t-20 57.23 45.81 19.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 p -115.83 8.82 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.499 ' N ' ' HG ' ' A' ' 92' ' ' SER . 2.1 t -41.22 -44.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 64.8 m-85 -56.86 -54.5 45.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -67.05 -31.81 72.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -61.8 -33.75 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.94 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.0 mt -89.6 -22.03 22.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.51 33.56 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.281 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 42' ' ' GLU . 2.5 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.776 HG21 HD22 ' A' ' 102' ' ' LEU . 35.0 mm -77.23 82.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 48.1 mtm180 -61.47 95.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.0 t -88.93 108.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.7 m-30 -76.53 125.1 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.437 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.2 pp -132.5 150.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.89 87.88 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.8 t -37.93 -82.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' SER . 48.6 p -111.13 -49.37 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -63.16 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.43 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.2 -34.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.52 -47.97 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PRO . 61.4 mt -54.66 -53.01 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -43.33 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -39.83 -47.26 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.8 mttt -63.51 -52.82 59.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 29.0 mt-30 -52.24 -28.32 18.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 30' ' ' VAL . 1.9 mm100 -79.67 -60.1 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.2 t0 -40.17 -30.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.5 t -67.0 -89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.831 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.28 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 mmt180 -37.63 -55.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 23.3 t80 -57.33 -45.91 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -62.22 -50.6 71.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 53.3 mm-40 -58.68 -49.69 76.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -23.84 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -102.01 5.76 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 51.01 47.64 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 96.8 mt -98.9 149.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.58 136.98 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.831 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 36.0 p90 -174.54 -176.64 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 9.3 pt-20 -154.43 141.26 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 88.38 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 41.1 t -70.09 91.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.411 ' OD1' ' HB ' ' A' ' 47' ' ' THR . 19.3 t0 -62.45 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.786 HD12 ' HG3' ' A' ' 53' ' ' ARG . 14.9 pt -60.73 -20.99 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 ' HB ' ' OD1' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -64.89 -48.44 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.42 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.6 mmt -71.41 -57.64 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 m -86.53 103.29 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.11 -55.26 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -41.05 -58.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -41.33 -50.18 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD12 ' A' ' 46' ' ' ILE . 34.3 ttt180 -61.62 -56.8 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -46.23 -46.78 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 88.3 t90 -51.77 -56.46 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -48.39 -51.54 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.5 m-30 -55.64 -15.68 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.07 -17.01 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.624 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.1 m-80 -112.37 42.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.3 t -155.27 115.32 2.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.62 22.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.81 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.51 -10.27 59.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -110.68 -26.5 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -40.25 118.77 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.91 131.32 14.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -111.04 158.76 34.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 169.64 22.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.93 161.78 94.13 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.023 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -140.85 79.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.079 HG21 HD23 ' A' ' 102' ' ' LEU . 3.4 mp -51.84 135.9 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 11.4 m-85 -147.17 107.46 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 33.5 t-20 -80.56 89.94 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 77.56 -91.76 1.07 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -137.56 13.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 119.01 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -59.56 111.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.0 m -84.87 -64.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.7 162.41 11.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -83.02 179.6 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 29.1 t80 -41.72 -45.16 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.17 -57.48 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 88.6 t80 -51.25 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -47.43 -54.82 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -45.35 34.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -73.51 -23.51 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -63.99 -46.61 83.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.68 -27.49 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 -0.74 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 55.97 55.92 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.4 p -125.81 2.34 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.8 t -37.68 -54.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 104' ' ' LEU . 48.0 m-85 -48.28 -52.19 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -44.53 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.4 t80 -47.69 -37.22 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.079 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -83.59 -27.21 29.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.93 32.4 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 102' ' ' LEU . 32.2 mm -76.47 79.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 97.7 mtt180 -59.27 96.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 97.0 t -91.54 116.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -82.36 131.24 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.815 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -138.92 149.27 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.38 89.4 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -40.14 -29.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.5 m -104.3 73.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.8 p -123.24 88.69 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.51 -29.89 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-85 -77.58 94.83 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.32 -44.44 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.89 -46.46 10.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.944 HG22 ' OE1' ' A' ' 27' ' ' GLN . 65.3 mt -56.85 -51.59 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.0 -56.92 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -40.34 -49.9 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -57.66 -54.52 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.944 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.9 mt-30 -44.05 -39.11 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' ASP . 6.3 mt-30 -68.58 -65.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -36.71 -35.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.8 t -63.8 -88.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.11 -53.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.2 mmt180 -37.37 -59.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -56.53 -46.86 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 31' ' ' VAL . 14.3 mt -59.01 -49.66 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 5.5 mm-40 -60.71 -49.69 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.405 ' CB ' HG13 ' A' ' 39' ' ' ILE . 22.9 m-80 -104.83 14.67 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 42.49 49.89 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.329 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.0 mt -100.04 146.36 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -81.41 135.74 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -173.52 179.09 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 5.9 pt-20 -149.62 143.66 25.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.63 90.86 7.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 59.0 t -71.11 85.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -58.38 96.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' HG3' ' A' ' 53' ' ' ARG . 29.9 pt -69.02 -34.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -50.78 72.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.42 -54.22 43.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 m -99.4 114.79 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.98 -57.85 10.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -60.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -38.45 -53.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' HD12 ' A' ' 46' ' ' ILE . 3.0 ttp180 -58.64 -52.73 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -50.04 -44.23 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.8 t90 -54.34 -59.83 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 107.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 tmm? -46.07 -51.12 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.44 -16.25 2.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -100.15 -15.81 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.684 ' N ' HD22 ' A' ' 59' ' ' ASN . 0.9 OUTLIER -112.98 39.21 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 71' ' ' PRO . 87.5 t -156.7 115.67 2.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.35 8.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.84 -31.2 70.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.6 mmtt -88.53 -29.58 19.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.45 123.85 1.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.01 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.95 158.42 31.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 168.5 24.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 167.51 80.25 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.028 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -144.8 73.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.893 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -50.11 137.73 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -145.8 106.83 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -77.17 83.94 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.6 -93.24 1.56 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.24 16.96 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.31 134.29 53.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 60' ' ' VAL . 7.4 t80 -69.57 120.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.1 m -88.89 -70.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.41 149.17 5.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.05 178.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 19.6 t80 -47.59 -43.65 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.89 -55.72 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.4 m -49.54 -57.82 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.1 t80 -46.27 -61.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.07 -55.75 16.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -47.08 -45.08 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -30.37 65.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -57.04 -49.69 75.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -57.66 -27.77 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -99.43 6.77 45.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 47.12 55.35 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' SER . 3.2 p -127.52 3.33 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 4.4 t -36.83 -50.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 31.9 m-85 -52.66 -51.5 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 t -68.74 -38.65 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.2 t80 -54.58 -37.91 66.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.893 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -84.82 -25.31 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.0 38.66 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.796 HG22 HG23 ' A' ' 12' ' ' VAL . 31.9 mm -78.07 85.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 31.2 mtm105 -65.13 87.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.796 HG23 HG22 ' A' ' 10' ' ' ILE . 71.7 t -86.95 118.18 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' HD2' HG21 ' A' ' 46' ' ' ILE . 4.8 m-85 -77.65 135.68 38.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.3 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.54 87.47 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -38.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.652 ' H ' HG21 ' A' ' 47' ' ' THR . 1.2 t -74.65 83.68 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -72.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.71 -30.69 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.614 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.7 m-85 -94.92 93.46 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 p -49.17 -36.06 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.5 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.876 HG22 ' OE1' ' A' ' 27' ' ' GLN . 61.1 mt -53.83 -43.54 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -59.64 -53.23 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -50.76 28.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.6 mttt -53.37 -47.98 68.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.876 ' OE1' HG22 ' A' ' 23' ' ' ILE . 12.1 mt-30 -53.49 -36.42 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 30.2 mt-30 -68.35 -69.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -38.59 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' LYS . 74.1 t -68.24 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.1 m -56.71 -49.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mmt-85 -40.41 -53.55 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.43 -51.22 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 39' ' ' ILE . 21.1 mt -56.37 -52.7 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -55.93 -51.39 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.42 -21.53 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -101.78 4.06 40.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' LEU . 42.1 mmtt 55.15 32.4 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.649 HG21 HD22 ' A' ' 34' ' ' LEU . 61.4 mt -83.13 146.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -81.99 136.48 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -175.24 177.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.38 138.78 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE2' HG11 ' A' ' 31' ' ' VAL . 16.3 mt-10 -89.16 80.03 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.41 97.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.4 t0 -68.46 107.12 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.647 HD11 ' HG3' ' A' ' 73' ' ' PRO . 8.2 pt -85.79 -36.56 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.652 HG21 ' H ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 -31.45 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.437 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 13.7 mmt -87.2 -49.71 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -99.76 95.16 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.0 -51.43 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -57.47 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -44.24 -46.39 8.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -58.63 -64.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -43.95 -56.07 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 42.4 t90 -47.68 -46.07 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 31.7 ttp -58.45 -44.14 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.11 -8.93 26.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -102.83 -10.93 18.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -117.36 39.3 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 71' ' ' PRO . 77.2 t -155.88 115.88 2.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.94 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -74.95 -28.36 9.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.72 -9.25 58.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.3 mmmt -111.44 -27.48 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.5 mttt -39.24 117.77 1.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.695 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -117.81 158.51 45.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.697 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.08 169.0 23.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 158.76 98.8 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.996 0.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -140.7 84.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.953 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -57.8 140.92 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.7 m-85 -153.56 108.55 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.4 t-20 -82.43 95.64 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 76.45 -91.68 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -138.15 14.05 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 130.98 54.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.8 t80 -68.04 118.78 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 76' ' ' ILE . 55.7 m -86.63 -68.41 0.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.47 155.79 7.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.64 -177.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 0.821 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 2.5 t80 -52.09 -39.1 59.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -57.31 -52.69 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 73.6 t80 -46.93 -60.31 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.29 -52.64 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.65 -50.57 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 1.2 m -71.29 -25.14 62.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 3.7 ttpp -62.37 -48.37 80.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -59.58 -27.81 66.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 97' ' ' THR . 21.1 t -100.9 7.17 43.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 49.43 57.56 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' SER . 53.6 p -128.02 3.15 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 102' ' ' LEU . 4.2 t -37.54 -53.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 49.6 m-85 -48.89 -51.37 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -43.4 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -49.28 -39.88 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.953 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.94 -21.34 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.87 49.51 1.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 99' ' ' PHE . 71.7 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.8 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 102' ' ' LEU . 33.6 mm -65.85 74.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' VAL . 91.9 mtt180 -51.8 103.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.8 t -98.47 112.38 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.3 m-85 -77.78 132.81 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.89 149.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . . . -125.86 77.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -65.66 73.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.4 t -176.87 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' SER . 27.6 t -39.42 145.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.43 46.15 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 23' ' ' ILE . 14.9 m-85 -138.87 84.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.46 -32.32 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.07 66.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.028 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.1 mt -68.63 -37.45 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -56.99 -63.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.66 -53.92 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 45.2 mttt -51.86 -54.02 33.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 1.028 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -47.61 -42.85 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -67.4 -63.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.59 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' VAL . 47.3 t -73.09 -88.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.894 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -38.97 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.5 mmt180 -38.16 -54.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -59.87 -45.14 93.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -61.86 -46.22 90.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.9 mm-40 -62.77 -48.81 77.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.85 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 48.5 m-80 -104.81 11.35 33.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.3 mmtt 39.13 53.08 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.39 155.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 127.47 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.894 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.3 p90 -178.91 178.75 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 4.2 pt-20 -159.43 154.06 24.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.46 79.14 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.56 93.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -62.36 110.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 73' ' ' PRO . 4.7 pt -92.19 -21.31 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -36.76 81.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmt -89.85 -47.88 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -92.31 90.72 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.76 -47.87 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.56 -56.29 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -48.41 -49.96 32.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -46.42 -59.22 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -44.86 -49.84 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.418 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 24.2 ttp -57.01 -41.88 79.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.3 m-30 -71.24 -3.97 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -106.24 -10.87 16.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.547 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.5 m-80 -118.46 35.0 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 71' ' ' PRO . 93.8 t -153.24 115.64 2.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.59 16.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.34 7.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.39 -15.79 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.9 mmtt -102.05 -32.14 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 26.6 mttt -39.47 124.4 1.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 123.8 8.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -105.81 158.23 32.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.623 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 158.87 98.69 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.951 -2.521 . . . . 0.0 111.003 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.24 82.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.814 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -59.04 135.86 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -148.28 110.59 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.2 t-20 -81.02 84.33 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.99 -93.13 1.67 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 7.7 t0 -133.12 11.13 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -110.02 127.13 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.8 t80 -67.15 126.7 30.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.553 ' HB2' HG22 ' A' ' 76' ' ' ILE . 1.9 m -94.35 -65.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.42 155.68 8.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 58.1 p30 -78.49 176.77 9.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 16.0 t80 -44.85 -30.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.426 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 2.0 t0 -61.33 -45.61 93.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -66.3 -52.0 51.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 79.1 t80 -47.04 -58.77 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -55.02 -52.24 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.86 -51.62 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -70.69 -25.33 62.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.85 -45.62 88.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.4 -29.94 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 97' ' ' THR . 8.5 t -101.67 6.48 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 52.32 59.42 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 21.4 p -127.98 4.37 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -38.19 -50.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LEU . 46.8 m-85 -52.21 -53.82 38.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -37.83 85.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -56.71 -33.57 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.814 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -95.92 8.95 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.74 41.86 81.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' PHE . 14.3 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.9 mm -70.78 74.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 92.1 mtt180 -48.09 103.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ILE . 85.7 t -101.45 98.83 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 136.4 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -141.49 152.0 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -124.7 85.87 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' SER . 1.4 t -37.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -62.3 81.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' SER . 19.5 t -112.31 -60.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.82 -63.03 0.62 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.44 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.93 -30.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.52 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 73' ' ' PRO . 68.1 mt -53.32 -48.52 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -63.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -45.21 -55.65 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.2 mttt -51.66 -52.76 45.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 31' ' ' VAL . 28.5 mt-30 -49.53 -36.17 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 14.4 mt-30 -71.27 -68.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.9 t0 -38.65 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 26' ' ' LYS . 51.4 t -65.01 -65.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -65.03 -49.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 10.9 mmt-85 -39.32 -50.99 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 98' ' ' VAL . 31.9 t80 -59.17 -50.54 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LYS . 16.1 mt -57.82 -47.49 82.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.8 mm-40 -59.56 -48.82 80.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.57 -22.76 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 31.8 m-80 -102.46 9.28 39.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER 44.8 49.7 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 99' ' ' PHE . 80.1 mt -102.11 145.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 2.0 mp0 -71.73 141.33 49.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 8.3 p90 179.06 172.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.575 ' OE1' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -150.26 139.25 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -85.86 79.78 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 ' OE1' ' A' ' 42' ' ' GLU . 69.5 t -66.24 93.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -64.68 95.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 8.3 pt -68.08 -34.74 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -46.43 85.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 mmt -70.15 -55.08 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 103.33 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.34 -56.66 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -40.62 -62.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 24.6 mm-40 -38.0 -55.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.6 ttp-105 -55.29 -53.11 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -49.61 -55.1 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 58.4 t90 -51.61 -49.32 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.5 ttp -54.35 -44.29 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.6 m-30 -66.42 -8.67 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -103.59 -9.99 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.4 m-80 -118.23 36.72 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.1 t -151.83 115.71 3.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -29.08 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.73 -19.0 64.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.8 mmtt -101.62 -30.59 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.6 mttt -40.33 120.51 1.6 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 5.9 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 122.91 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.3 158.56 31.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.96 169.36 22.8 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.03 158.43 98.98 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.96 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.51 88.42 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.963 HG21 HD23 ' A' ' 102' ' ' LEU . 3.6 mp -63.08 138.94 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.8 m-85 -149.99 110.02 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 27.5 t-20 -85.64 99.56 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.36 -94.2 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -135.31 11.69 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.51 126.87 52.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 5.9 t80 -67.74 117.1 9.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.0 -66.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.05 157.09 8.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 15.9 p-10 -71.37 -176.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 t80 -52.48 -38.35 59.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -50.9 65.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.49 -52.51 65.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.8 t80 -47.76 -59.8 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 3.2 t80 -53.44 -53.69 47.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.94 -50.94 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.5 OUTLIER -71.17 -25.45 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -63.58 -43.11 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.04 -32.14 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.23 7.2 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 53.0 60.89 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -126.43 1.5 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 33' ' ' PHE . 2.7 t -36.74 -55.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 39' ' ' ILE . 62.4 m-85 -48.58 -51.3 28.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -69.14 -39.82 78.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -55.48 -36.72 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.963 HD23 HG21 ' A' ' 76' ' ' ILE . 1.1 mt -81.66 -23.51 36.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.08 34.28 2.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 99' ' ' PHE . 7.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.9 mm -75.06 78.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 94.1 mtt180 -58.16 101.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.1 t -98.78 117.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.5 m-30 -80.58 132.12 35.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -135.54 147.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -118.72 83.62 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.51 -30.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -112.77 116.23 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.92 115.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.01 -68.28 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 23' ' ' ILE . 82.2 m-85 -42.98 105.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.36 -34.32 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.63 -43.83 26.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 27' ' ' GLN . 86.6 mt -50.74 -54.53 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.23 -64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.29 -54.92 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 43.1 mttt -50.24 -56.59 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.768 ' OE1' HG22 ' A' ' 23' ' ' ILE . 23.7 mt-30 -44.4 -41.24 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.3 mt-30 -69.52 -61.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -38.7 -31.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.1 t -71.18 -89.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.901 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.01 -50.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 29.2 mmt-85 -37.53 -54.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 17.5 t80 -59.0 -48.36 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.2 mt -57.86 -49.87 75.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 6.7 mm-40 -59.97 -48.02 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.34 -21.76 66.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 13.1 m-80 -100.98 -0.19 37.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 57.64 36.89 27.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 99' ' ' PHE . 74.7 mt -88.98 151.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.94 136.3 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.901 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 34.5 p90 -172.89 179.24 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 7.7 pt-20 -149.67 141.82 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.85 90.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 60.2 t -68.96 89.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.88 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 13' ' ' PHE . 11.6 pt -80.32 -16.64 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -41.36 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mmt -77.67 -51.92 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -94.64 118.7 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.33 -53.04 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -39.65 -62.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -38.88 -55.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -54.15 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -49.71 -45.63 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 69.7 t90 -53.33 -58.21 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.049 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 56' ' ' MET . 3.2 tmm? -46.09 -51.18 14.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -56.63 -16.2 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -99.3 -13.33 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -119.34 47.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.789 HG11 ' HB3' ' A' ' 71' ' ' PRO . 58.9 t -158.0 116.64 1.85 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.75 21.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.59 9.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.39 -23.53 63.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.1 mmtm -94.94 -32.17 13.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -39.39 119.51 1.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.789 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 134.36 17.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -117.49 158.76 44.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.582 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.08 169.47 22.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.553 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.94 162.82 92.06 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.022 -0.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 20.8 mm-40 -141.02 71.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.91 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -49.61 139.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 15.5 m-85 -147.88 109.6 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.8 t-20 -81.13 86.73 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 57.32 54.75 34.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 m-20 85.83 -38.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.05 109.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.501 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -59.67 108.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.0 m -82.57 -70.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.38 150.84 5.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -67.82 174.86 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 27.2 t80 -38.81 -45.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.43 -56.47 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 70.1 m -50.56 -55.69 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 77.1 t80 -49.65 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 93' ' ' LYS . 22.0 t80 -45.52 -58.49 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -42.35 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -25.94 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.07 -51.13 70.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -55.32 -27.57 47.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 97' ' ' THR . 9.9 t -100.01 9.29 43.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 43.3 50.72 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 95' ' ' SER . 33.3 p -120.84 2.51 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 102' ' ' LEU . 2.9 t -36.37 -53.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 39' ' ' ILE . 69.3 m-85 -50.5 -52.34 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -38.35 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.9 t80 -58.3 -33.41 69.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.91 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.4 mt -90.31 -26.63 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 42.44 2.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.168 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.66 HD12 ' HB3' ' A' ' 102' ' ' LEU . 31.1 mm -74.94 77.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 95.5 mtt180 -57.33 93.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.3 t -92.74 116.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -79.92 134.34 36.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.83 154.0 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -129.29 91.41 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.48 -57.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.3 89.59 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -0.48 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.08 -62.61 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 23' ' ' ILE . 34.8 m-85 -60.95 102.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.542 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -65.57 -17.41 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.78 -41.47 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 73' ' ' PRO . 87.4 mt -66.72 -34.59 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HE2' HG23 ' A' ' 21' ' ' VAL . 1.4 ttpt -69.57 -31.96 70.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -50.31 63.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 53.9 mttt -58.01 -44.61 87.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.495 ' OE1' HG22 ' A' ' 23' ' ' ILE . 18.9 mt-30 -47.62 -38.03 13.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.5 mt-30 -70.74 -53.07 16.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLN . 3.5 t0 -40.25 -34.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 71.5 t -68.03 -87.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.86 -54.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 12.1 mmt180 -37.72 -58.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 98' ' ' VAL . 21.3 t80 -55.62 -48.13 75.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 13.2 mt -58.57 -51.31 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 7.9 mm-40 -58.51 -49.15 78.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.6 -21.9 66.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -100.65 -0.85 36.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' LEU . 2.2 mmmt 59.59 33.56 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 70.6 mt -85.87 150.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -85.42 136.07 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.816 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -171.31 -177.01 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 8.8 pt-20 -152.86 140.41 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.38 90.19 7.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 89.3 t -70.59 88.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.57 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 ' HG3' ' A' ' 53' ' ' ARG . 5.0 pt -70.1 -28.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -36.35 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mmt -89.48 -49.2 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 95.88 9.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.08 -42.56 72.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -57.1 -62.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLU . 28.5 mm-40 -38.15 -55.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.5 ttt180 -54.43 -52.75 60.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -52.66 -45.76 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 85.3 t90 -53.52 -57.45 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 14.0 tmm? -46.02 -53.23 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -53.28 -17.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -97.69 -20.64 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.3 m-80 -110.46 43.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.8 t -155.65 115.51 2.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.52 8.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -66.95 -34.59 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.2 mmtt -82.86 -35.38 26.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.5 mttt -40.42 134.54 1.54 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 p-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.64 30.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.7 158.57 59.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.784 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 168.68 24.28 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.97 159.6 97.78 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.033 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 39.3 mm-40 -136.29 75.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -50.64 136.02 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.1 m-85 -147.23 108.47 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 32.9 t-20 -85.46 100.11 11.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.28 -90.19 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -139.53 14.75 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 122.05 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.8 t80 -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.653 ' HB2' HG22 ' A' ' 76' ' ' ILE . 67.2 m -76.07 -70.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.53 163.06 14.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.416 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 54.3 p30 -78.27 179.81 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 42.2 t80 -51.4 -30.84 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -59.58 -46.98 87.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -61.51 -57.69 11.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 90.3 t80 -43.76 -55.41 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.2 -47.24 78.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.1 -13.79 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' ASN . 2.1 m -98.69 -38.25 9.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 7.2 mtmp? -52.92 -37.56 60.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.68 -37.02 72.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -101.53 -1.56 32.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 t-20 60.69 39.02 18.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 95' ' ' SER . 9.0 p -101.63 4.79 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD11 ' A' ' 102' ' ' LEU . 1.9 t -38.31 -50.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 23.3 m-85 -51.59 -54.42 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -40.75 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -52.45 -35.67 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 1.2 mt -87.31 -24.38 24.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.07 32.48 3.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 99' ' ' PHE . 11.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.1 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.751 ' CG2' HG23 ' A' ' 76' ' ' ILE . 39.9 mm -66.38 76.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.13 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.5 t -97.9 123.35 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -87.97 136.88 32.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.3 pp -136.96 142.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -120.45 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -47.85 -37.51 14.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.32 -33.43 73.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.3 p -39.08 120.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.21 -63.07 4.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -38.07 116.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.03 -35.82 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.71 -37.58 3.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.11 -52.42 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.01 -66.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.8 -55.35 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 58.4 mttt -53.14 -62.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 31' ' ' VAL . 29.2 mt-30 -40.68 -37.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.9 mt-30 -72.16 -67.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 6.0 t0 -38.71 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 HG11 ' A' ' 12' ' ' VAL . 20.5 t -65.56 -66.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.2 m -65.94 -49.66 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 28.9 mmt-85 -38.31 -50.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -61.68 -46.24 90.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -63.04 -47.31 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 66.7 mm-40 -59.96 -50.02 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.81 68.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' LYS . 45.2 m-80 -104.62 12.93 32.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 6.7 mmmt 39.13 50.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.577 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 72.6 mt -94.55 150.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.29 129.28 38.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 p90 -178.73 173.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -154.3 143.59 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HG11 ' A' ' 31' ' ' VAL . 15.7 mt-10 -89.1 84.24 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 77.8 t -65.37 84.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -55.37 101.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 13' ' ' PHE . 14.3 pt -83.07 -20.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.58 -30.12 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 mmt -91.65 -41.53 10.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -103.08 106.67 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -49.82 75.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -42.95 -61.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -43.05 -52.26 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -48.54 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -42.03 -53.14 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 43.8 t90 -49.48 -51.03 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ttp -54.7 -41.56 70.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.0 m-30 -70.82 -5.12 27.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -106.38 -13.19 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -115.69 39.88 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.804 HG11 ' HB3' ' A' ' 71' ' ' PRO . 72.0 t -154.43 115.72 2.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.37 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.69 -18.54 63.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.0 mmmt -101.07 -30.88 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.2 mttt -39.9 120.61 1.48 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.1 p30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.4 mt -107.7 158.23 33.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.99 169.55 22.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.06 159.47 97.91 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.967 0.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -140.42 85.37 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.869 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -61.64 143.46 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 12.0 m-85 -151.36 116.76 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' ND2' HD11 ' A' ' 10' ' ' ILE . 21.0 t-20 -85.86 88.29 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 52.68 63.09 5.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.8 m-20 84.4 -43.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -53.07 124.61 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -74.81 115.03 13.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.1 m -86.37 -67.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.4 158.78 9.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -72.38 -175.93 1.72 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 39.2 t80 -52.29 -38.88 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -51.91 -51.28 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.4 m -58.29 -55.31 36.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 72.9 t80 -46.13 -59.15 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.95 -53.76 48.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -51.14 18.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m -71.37 -21.89 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -102.11 -16.97 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 95' ' ' SER . 3.4 t-20 75.8 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -120.96 3.94 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -37.17 -54.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 13.4 m-85 -48.59 -50.56 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 t -70.34 -44.19 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -47.66 -37.61 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.869 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -85.34 -27.34 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.74 44.21 1.15 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 99' ' ' PHE . 12.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 28.1 mm -74.81 77.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -57.02 106.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 76' ' ' ILE . 42.6 t -103.75 109.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -76.93 132.1 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.433 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -138.38 145.87 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.31 75.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 85.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 164.54 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -39.91 125.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.575 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -73.76 61.13 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' GLY . 61.2 m-85 -155.92 87.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -45.67 -38.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.9 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 73' ' ' PRO . 60.7 mt -54.54 -56.38 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -42.89 -63.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -40.63 -57.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 mttt -56.23 -46.81 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.496 ' O ' HG12 ' A' ' 31' ' ' VAL . 26.2 mt-30 -55.66 -33.48 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.3 mm100 -75.98 -61.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 10.5 t0 -39.61 -30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.1 t -68.03 -89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -53.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 6.3 mmt180 -36.94 -64.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -49.44 -41.67 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.4 mt -66.57 -52.22 47.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 58.8 mm-40 -56.98 -51.26 69.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.34 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 32.2 m-80 -104.81 13.21 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER 39.8 53.81 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 78.9 mt -97.86 154.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.11 132.35 41.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.888 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 7.7 p90 -179.96 178.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.64 144.3 19.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.56 84.75 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 t -67.45 84.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -58.62 92.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.929 HD12 ' HG3' ' A' ' 53' ' ' ARG . 25.9 pt -65.14 -35.21 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.92 -41.11 74.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.42 -56.39 8.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -101.24 118.51 37.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.48 -54.54 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -39.76 -60.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -38.66 -53.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.929 ' HG3' HD12 ' A' ' 46' ' ' ILE . 47.7 ttt180 -60.62 -56.71 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.04 -55.4 6.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 78.8 t90 -49.39 -50.28 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.5 ttp -51.73 -46.04 63.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.2 m-30 -66.36 -7.5 19.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -106.87 -5.75 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.83 38.02 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.5 t -151.24 115.29 3.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 171.77 17.67 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.95 -29.76 7.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -67.99 -22.14 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtt -101.15 -29.84 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 21.9 mttt -40.08 120.38 1.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.579 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 146.13 32.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.16 158.49 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.546 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.95 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 158.55 98.93 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.982 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.55 87.89 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.995 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -62.6 139.37 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -150.35 112.75 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.562 ' ND2' HD11 ' A' ' 10' ' ' ILE . 9.2 t-20 -80.16 85.29 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 48.5 69.55 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 4.4 t70 85.98 -44.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.791 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.79 128.3 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.1 t80 -81.52 105.56 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 76' ' ' ILE . 74.3 m -76.08 -68.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.75 160.91 10.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -75.25 175.34 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 14.0 t80 -44.0 -40.66 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -52.91 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 58.6 m -57.59 -52.36 65.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 68.9 t80 -48.19 -59.94 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 33.6 t80 -53.37 -56.9 12.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -41.8 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ASN . 1.4 m -76.47 -26.08 55.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' PHE . 1.2 ttpp -60.63 -55.35 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.83 -24.6 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -94.87 -20.89 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 t30 75.3 36.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.9 p -113.33 6.48 17.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 2.8 t -37.29 -49.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 28.6 m-85 -53.58 -51.38 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' THR . 2.0 m -69.53 -38.14 77.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -53.34 -39.08 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.995 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.07 -26.76 28.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.79 40.34 1.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 10' ' ' ILE . 10.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.346 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ARG . 5.6 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 102' ' ' LEU . 32.2 mm -65.39 75.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' VAL . 94.6 mtt180 -55.06 108.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.6 t -103.76 122.7 56.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 46' ' ' ILE . 4.7 m-30 -85.31 134.2 34.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.879 HG22 ' CD ' ' A' ' 27' ' ' GLN . 1.1 pp -136.52 141.48 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.09 74.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 22.0 t -38.3 -44.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB2' HG21 ' A' ' 47' ' ' THR . 0.5 OUTLIER -81.59 64.33 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.4 p -130.91 120.59 23.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.92 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 100.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -33.46 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.28 27.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mt -46.07 -56.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.94 -61.97 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.76 -49.56 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 62.5 mttt -55.51 -54.22 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.879 ' CD ' HG22 ' A' ' 14' ' ' ILE . 3.9 mt-30 -51.57 -40.08 59.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASP . 60.1 mt-30 -60.62 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.0 t0 -39.02 -35.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 72.4 t -71.19 -81.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.6 m -41.29 -49.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.478 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 9.9 mmt-85 -45.02 -56.48 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.9 -40.67 57.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -69.43 -43.42 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.6 mm-40 -60.84 -47.79 84.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.26 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.3 m-80 -103.63 12.55 34.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.1 mmmt 39.65 44.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 59.8 mt -86.72 150.46 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.37 128.6 36.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 34' ' ' LEU . 3.4 p90 -178.17 173.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -154.37 154.82 33.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -99.55 88.2 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 74.8 t -71.75 95.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -63.99 85.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' HG3' ' A' ' 53' ' ' ARG . 47.5 pt -59.22 -28.51 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -63.78 -46.6 84.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -64.66 -51.47 62.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.5 m -102.53 103.93 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.5 -50.04 60.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.89 -60.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -40.14 -51.92 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.737 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -61.32 -56.24 22.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -45.88 -46.4 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 91.4 t90 -51.79 -58.56 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 107.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.429 ' SD ' HG21 ' A' ' 60' ' ' VAL . 5.5 tmm? -44.66 -54.61 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -52.69 -19.08 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' TRP . 6.9 mttt -97.79 -21.39 16.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.659 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.72 44.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 71' ' ' PRO . 59.8 t -155.29 116.37 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.42 18.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.48 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.6 -33.06 74.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtm -82.93 -33.33 26.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 11.4 mttt -39.16 133.79 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.5 m-80 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.683 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 148.78 35.98 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.11 157.93 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 168.68 24.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 163.93 89.57 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.023 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 24.2 mm-40 -141.3 73.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.966 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -50.91 143.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 19.0 m-85 -147.69 111.84 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 25.1 t-20 -81.68 80.75 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 56.42 62.69 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 5.0 t70 86.21 -43.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.7 113.32 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.7 t80 -64.26 113.68 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 76' ' ' ILE . 85.7 m -78.02 -70.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.27 154.88 7.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -65.69 176.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 15.4 t80 -46.81 -44.76 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.34 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m -50.19 -61.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 84.0 t80 -44.61 -55.7 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -56.42 -45.82 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.39 -13.54 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASN . 58.0 m -99.55 -25.2 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -66.41 -41.46 89.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -53.14 -39.54 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.68 -11.15 23.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.0 OUTLIER 70.39 43.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.1 p -105.49 4.03 30.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 97' ' ' THR . 1.5 t -37.38 -45.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 38.6 m-85 -57.77 -53.26 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.7 t -67.82 -38.78 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.6 t80 -54.15 -32.2 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.966 ' CD2' HG21 ' A' ' 76' ' ' ILE . 3.7 mt -92.03 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.53 3.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 99' ' ' PHE . 17.9 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.0 mm -75.19 75.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -55.33 104.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -99.39 117.71 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.3 m-30 -81.08 130.92 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -136.58 143.88 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.76 90.64 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 27.2 p -69.0 64.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 159.8 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -123.81 -52.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 -53.38 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -59.17 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.09 -34.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.11 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.977 HG22 ' OE1' ' A' ' 27' ' ' GLN . 80.1 mt -60.95 -44.84 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -58.4 7.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -54.94 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 mttt -48.1 -54.27 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.977 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.7 mt-30 -47.48 -37.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.6 mt-30 -70.98 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.1 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.2 t -68.46 -88.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.15 -53.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.9 mmt-85 -38.27 -61.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' A' ' 98' ' ' VAL . 25.0 t80 -51.97 -40.74 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -66.97 -55.03 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 59.5 mm-40 -52.76 -53.6 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.47 47.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.3 m-80 -108.02 20.85 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 34.25 50.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 99' ' ' PHE . 36.8 mt -92.17 152.53 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 132.2 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.922 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 9.9 p90 -179.27 177.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.09 149.05 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.39 88.65 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 97.4 t -73.24 89.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -58.91 98.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.57 HD12 ' HG3' ' A' ' 53' ' ' ARG . 42.5 pt -74.08 -26.77 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.79 -42.51 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 m -95.79 87.06 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.62 -52.83 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -43.66 -51.39 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -54.67 -43.72 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.246 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 46' ' ' ILE . 33.7 ttp180 -61.68 -64.06 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -42.99 -47.52 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -50.06 -55.16 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.13 -52.54 25.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 3.3 m-85 -55.31 -16.35 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.635 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -116.98 42.45 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' HB3' ' A' ' 71' ' ' PRO . 73.0 t -151.36 117.05 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.33 22.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.11 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.85 -18.76 62.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 13.0 mmtt -99.47 -32.5 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.2 mttt -40.35 119.13 1.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.767 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 137.75 22.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.3 mt -123.87 158.36 60.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 168.98 23.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 163.69 90.12 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.923 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 21.2 mm-40 -141.12 77.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -54.43 139.12 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 21.2 m-85 -148.46 105.12 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -77.48 93.99 4.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.23 -89.71 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -140.19 15.39 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.63 123.79 49.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.0 t80 -63.83 110.67 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.8 m -79.04 -74.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.72 152.09 6.64 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -67.92 176.98 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 37.1 t80 -45.4 -44.11 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -43.71 -55.57 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.9 m -56.49 -58.71 6.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 87.8 t80 -40.99 -55.31 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.22 -43.61 97.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -17.85 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -99.05 -43.56 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.3 mtmp? -45.36 -46.77 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -41.97 -46.64 4.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -93.87 -18.22 22.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 95' ' ' SER . 4.0 t-20 81.78 52.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.4 p -113.09 5.36 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 33' ' ' PHE . 1.5 t -37.67 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 39' ' ' ILE . 83.7 m-85 -46.24 -53.96 9.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -46.46 73.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -47.01 -33.65 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.87 ' CD2' HG21 ' A' ' 76' ' ' ILE . 1.1 mt -93.0 -25.78 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.49 41.41 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 2.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 102' ' ' LEU . 30.8 mm -75.61 78.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.22 102.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 76' ' ' ILE . 41.2 t -98.44 104.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.2 m-85 -70.93 132.6 45.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -137.66 150.34 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.57 78.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -39.06 -31.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 47' ' ' THR . 1.0 OUTLIER -114.41 86.92 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -122.45 -59.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.09 9.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.605 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.8 m-85 -88.77 83.77 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' HE2' ' A' ' 24' ' ' LYS . 7.6 p -43.65 -39.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.24 -46.23 65.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 73' ' ' PRO . 56.2 mt -63.28 -47.99 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.656 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -51.92 -40.03 60.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 82.7 mttt -48.9 -52.87 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.59 ' O ' HG13 ' A' ' 31' ' ' VAL . 26.4 mt-30 -39.62 -35.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.3 mt-30 -72.46 -69.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' GLN . 20.0 t0 -36.53 -33.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' GLN . 56.5 t -62.97 -66.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -64.73 -47.34 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 8.4 mmm180 -38.31 -53.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 22.0 t80 -57.9 -49.79 75.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 14.7 mt -59.91 -46.15 90.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 61.5 mm-40 -61.26 -47.49 85.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.33 -23.19 64.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 34.1 m-80 -102.02 7.54 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER 46.05 42.05 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.73 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 67.8 mt -90.98 148.07 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -72.46 136.84 46.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 6.4 p90 -179.53 172.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 13.1 pt-20 -150.08 141.81 23.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -89.01 86.53 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 73.4 t -69.15 93.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 48.2 t0 -64.78 96.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 15' ' ' ALA . 4.2 pt -68.2 -34.3 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.6 OUTLIER -57.92 -44.96 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.426 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 14.7 mmt -72.68 -49.49 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.0 m -96.88 107.97 20.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -41.44 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -51.33 -67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -38.74 -58.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.74 -53.15 12.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -50.92 -57.69 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 36.4 t90 -49.26 -47.88 46.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.0 ttp -54.06 -41.79 68.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.7 m-30 -72.16 -3.06 21.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -106.35 -14.73 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -116.04 39.11 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.733 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.8 t -150.78 115.87 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.07 8.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.0 -22.38 65.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -97.87 -31.58 12.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -40.14 125.45 1.68 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 11.2 p30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.733 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.05 145.64 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.46 158.45 61.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.0 169.58 22.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.98 159.11 98.49 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.012 -0.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -140.52 92.4 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.956 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -63.61 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 9.1 m-85 -155.23 104.31 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 33.2 t-20 -79.82 89.26 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 81' ' ' ARG . . . 63.38 72.48 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 55' ' ' TRP . 4.6 m-20 49.08 22.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 78' ' ' ASN . 1.6 ttt-85 -110.4 111.32 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.2 t80 -59.71 120.91 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.34 -59.55 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.62 158.72 9.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.4 -169.64 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 27.0 t80 -50.08 -42.51 50.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -50.63 -56.45 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -55.74 -53.25 58.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 69.4 t80 -45.92 -56.97 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -55.4 -54.32 45.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -46.29 -45.41 17.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -74.23 -28.39 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -59.9 -46.57 88.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.17 -29.09 67.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 97' ' ' THR . 16.0 t -100.57 6.09 44.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 49.87 55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 95' ' ' SER . 11.9 p -125.83 3.71 7.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.567 HG13 HD11 ' A' ' 102' ' ' LEU . 2.4 t -36.02 -56.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 39.1 m-85 -48.31 -49.75 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -69.93 -41.54 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.0 OUTLIER -52.77 -36.72 58.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.956 HD23 HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -86.07 -29.48 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.56 42.57 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 HD11 ' A' ' 10' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.766 HG21 HD22 ' A' ' 102' ' ' LEU . 33.1 mm -70.95 75.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -53.16 104.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -97.2 118.04 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 3.7 m-85 -80.38 133.93 35.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -137.99 147.91 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.753 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -131.71 82.09 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.65 -43.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.48 98.97 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 19' ' ' GLY . 85.3 p -129.7 -71.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . 143.76 -28.84 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HB2' HD12 ' A' ' 23' ' ' ILE . 12.7 m-85 -100.87 91.42 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.02 -32.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.27 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 27' ' ' GLN . 63.6 mt -60.27 -45.52 96.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -50.59 -59.01 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -59.37 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.7 mttt -48.82 -57.83 5.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.647 ' O ' HG12 ' A' ' 31' ' ' VAL . 24.2 mt-30 -44.97 -39.64 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ASP . 1.8 mt-30 -69.82 -67.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -37.39 -34.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.9 t -63.26 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.12 -51.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -39.3 -54.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -58.93 -37.88 77.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -70.65 -45.98 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 52.3 mm-40 -61.5 -50.06 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.37 67.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.3 m-80 -104.87 11.58 33.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 4.8 mmtt 39.22 52.23 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.561 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 64.8 mt -94.59 155.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.14 128.03 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.9 p90 -178.5 176.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 7.0 pt-20 -158.2 147.64 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.48 97.39 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 62.1 t -83.2 101.84 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.08 103.42 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.753 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 20.5 pt -83.33 -14.1 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.39 -46.61 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 mmt -74.79 -49.18 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.1 m -95.94 102.04 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -52.6 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -60.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -39.45 -50.88 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 5.8 ttp180 -61.15 -57.19 13.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -44.78 -46.04 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 86.2 t90 -53.82 -57.21 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 107.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.514 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.5 tmm? -48.7 -50.68 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.3 -16.83 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -99.92 -15.32 18.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.682 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.52 36.07 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.3 t -156.02 115.54 2.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.62 8.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.01 -30.67 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.6 mmtt -89.06 -30.42 18.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.04 125.04 1.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.1 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.97 133.82 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.568 1.825 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.23 158.59 36.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 158.52 98.93 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.004 0.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -138.45 83.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.826 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -62.16 147.82 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -154.34 112.67 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -78.08 81.45 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 -89.63 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -136.23 14.65 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.02 120.56 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.7 t80 -54.09 114.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.714 ' SG ' HD23 ' A' ' 102' ' ' LEU . 52.7 t -81.53 -77.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.8 147.47 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.76 -176.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 18.2 t80 -53.58 -44.07 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -43.22 -55.79 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 91' ' ' GLU . 58.1 m -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.693 ' CD2' HG22 ' A' ' 30' ' ' VAL . 2.5 t80 -38.38 -44.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.09 -39.74 60.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.7 tt0 -61.11 -13.85 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -100.37 -45.04 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 89' ' ' PHE . 5.8 mtmp? -46.23 -39.17 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.96 -40.81 81.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.73 11.06 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' SER . 22.4 m-20 50.35 57.42 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.353 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' VAL . 20.2 p -120.69 1.96 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 93' ' ' LYS . 2.7 t -38.07 -45.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 82.0 m-85 -57.12 -54.4 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 t -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 1.6 t80 -59.02 -36.08 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -92.32 3.58 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.55 37.24 35.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.9 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 102' ' ' LEU . 41.9 mm -80.52 84.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 42' ' ' GLU . 78.7 mtp85 -63.1 100.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ILE . 75.3 t -96.43 108.27 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -73.89 130.44 39.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.432 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pp -137.93 148.31 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.68 88.03 2.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 69.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.3 t -178.81 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.0 p -43.95 110.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -44.05 -51.99 7.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HB2' HD12 ' A' ' 23' ' ' ILE . 94.6 m-85 -37.54 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.56 -44.23 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -47.19 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.677 HD12 ' HB2' ' A' ' 20' ' ' PHE . 73.7 mt -53.82 -53.25 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.85 -58.85 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.93 -54.92 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 82.0 mttt -58.71 -43.24 90.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 24.2 mt-30 -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.4 mm100 -83.83 -56.44 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' GLN . 22.8 t0 -39.12 -32.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' LYS . 69.2 t -66.64 -88.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.64 -55.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.5 mmt180 -37.13 -61.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -51.9 -40.37 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 39' ' ' ILE . 13.4 mt -68.64 -57.08 6.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -50.92 -51.6 50.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.19 -21.84 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m-80 -111.09 25.94 11.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 33.78 39.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.79 HG21 HD22 ' A' ' 34' ' ' LEU . 14.4 mt -82.95 147.35 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 3.0 pt-20 -81.79 134.77 35.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.741 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 26.8 p90 -176.27 177.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.452 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 7.8 pt-20 -148.99 144.8 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.55 89.35 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.6 83.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.9 t0 -56.73 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' A' ' 15' ' ' ALA . 8.4 pt -71.72 -24.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.29 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.443 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 20.5 mmt -68.53 -44.64 74.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.7 m -109.88 114.49 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.58 -55.2 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 2.6 tt0 -40.92 -61.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 89.3 mm-40 -37.63 -54.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG3' HD12 ' A' ' 46' ' ' ILE . 9.6 ttp180 -56.2 -52.01 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -51.89 -56.58 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 48.5 t90 -48.81 -50.87 32.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 107.972 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.7 ttp -48.83 -47.57 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 6.0 m-30 -66.43 -9.02 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -100.38 -7.63 24.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.594 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -123.66 35.05 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.9 t -149.06 116.01 3.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -75.04 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.71 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.99 -23.87 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 13.8 mmtt -93.38 -32.21 14.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 18.4 mttt -39.46 134.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 m120 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.684 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 147.07 33.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -124.52 158.0 63.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.95 169.01 23.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.98 157.76 99.42 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.95 -0.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.407 ' OE1' HG21 ' A' ' 60' ' ' VAL . 11.0 mm-40 -139.94 85.09 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.845 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -61.38 138.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 9.8 m-85 -147.69 109.73 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -80.63 89.37 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.54 -90.62 1.04 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -136.14 12.22 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.38 117.12 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.1 t80 -59.93 116.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.8 m -81.19 -75.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.6 152.61 7.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -71.84 178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.797 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 28.1 t80 -47.16 -33.93 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 6.0 m -67.36 -61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 2.4 t80 -37.88 -47.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.05 -50.63 67.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -17.45 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ASN . 28.3 m -97.43 -22.68 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -66.52 -61.46 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.59 -15.95 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 -9.59 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' SER . 9.3 m120 59.38 41.13 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.8 p -116.29 -2.63 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.713 ' CG1' HD11 ' A' ' 102' ' ' LEU . 22.0 t -37.01 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 48.7 m-85 -46.82 -53.76 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -67.28 -44.3 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 3.7 t80 -51.64 -38.0 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.845 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -83.91 -26.71 29.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.14 46.07 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 99' ' ' PHE . 15.1 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.7 t . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 102' ' ' LEU . 33.8 mm -65.39 75.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HB3' HG21 ' A' ' 44' ' ' VAL . 98.7 mtt180 -55.24 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.7 t -88.02 126.79 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 5.3 m-30 -88.76 132.53 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.45 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.3 pp -133.33 150.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.97 80.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 44.1 p -38.97 -38.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -100.05 96.91 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 m -156.85 120.3 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -71.93 59.87 1.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.2 m-85 -163.58 83.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.04 -36.42 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.2 54.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.835 HD12 ' HB2' ' A' ' 20' ' ' PHE . 93.9 mt -64.42 -43.21 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -54.0 -64.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -46.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 30' ' ' VAL . 51.2 mttt -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.682 ' OE1' HG22 ' A' ' 23' ' ' ILE . 21.5 mt-30 -55.23 -38.7 68.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -69.01 -61.5 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -40.02 -33.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 26' ' ' LYS . 68.0 t -66.66 -87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.2 -55.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.7 mmt180 -37.3 -55.71 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -58.21 -44.8 88.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.5 mt -64.12 -46.56 83.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 17.4 mm-40 -60.71 -50.4 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -25.48 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.5 m-80 -106.43 11.87 30.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.8 mmmt 39.7 49.84 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' A' ' 99' ' ' PHE . 69.4 mt -91.4 154.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -72.76 127.34 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.8 p90 -178.82 177.16 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' OE2' HG22 ' A' ' 44' ' ' VAL . 9.2 pt-20 -159.67 141.23 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.21 85.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 40.2 t -70.75 97.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' SER . 54.3 t0 -62.98 95.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 13' ' ' PHE . 5.9 pt -70.1 -28.82 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -49.62 68.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.455 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 16.9 mmt -81.93 -44.91 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 69.6 m -55.86 -40.93 73.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 68.99 -62.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.91 -39.93 83.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 23.7 mm-40 -62.9 -34.8 78.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -63.98 -68.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -41.1 -45.83 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 79.4 t90 -53.08 -52.72 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -48.92 -51.32 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -56.93 -15.09 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.97 -7.43 25.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -121.1 37.09 4.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 59' ' ' ASN . 92.6 t -154.1 114.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 -31.13 6.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.83 -23.22 66.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -100.08 -24.92 14.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 16.8 mttt -44.74 121.07 4.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.3 p30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 18.5 Cg_endo -74.93 137.75 22.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 mt -117.8 159.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.94 160.52 96.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.989 -0.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 38.7 mm-40 -137.02 69.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.858 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -44.94 137.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 20.3 m-85 -147.24 107.24 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -80.11 92.17 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 53.03 51.7 44.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 3.1 m-20 86.27 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -56.34 113.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.92 116.54 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.428 ' HB2' HG22 ' A' ' 76' ' ' ILE . 53.9 m -90.15 -75.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 108.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.18 151.62 6.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -65.25 175.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 19.5 t80 -45.04 -48.54 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -51.57 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -55.04 -60.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.7 t80 -45.65 -58.94 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -52.79 -53.53 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -42.64 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -19.87 58.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 1.8 ttpp -67.92 -49.15 63.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -57.45 -27.47 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -101.14 8.76 42.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 45.48 57.49 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' SER . 1.3 p -127.84 3.63 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -38.03 -49.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 39' ' ' ILE . 47.6 m-85 -52.78 -54.12 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.89 87.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -54.76 -36.84 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.858 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.6 mt -84.72 -17.62 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 16.2 22.24 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' PHE . 20.0 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -76.89 79.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' PHE . 99.3 mtt180 -57.52 108.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ILE . 84.8 t -105.98 121.3 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.65 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -81.68 136.21 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.89 150.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 86.73 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.25 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -111.09 110.61 21.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.471 ' CB ' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -162.18 111.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.22 -54.78 1.57 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HB2' HD12 ' A' ' 23' ' ' ILE . 49.2 m-85 -61.83 125.57 24.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -87.79 -43.13 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.7 -36.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.97 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.0 mt -64.14 -53.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -42.88 -62.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.3 mptp? -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 71.3 mttt -42.17 -57.11 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.97 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -45.82 -40.83 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.9 mt-30 -68.36 -67.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -38.79 -30.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 26' ' ' LYS . 44.5 t -70.26 -73.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -54.9 -50.34 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.4 mmt180 -39.84 -54.74 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD1' HG11 ' A' ' 98' ' ' VAL . 39.3 t80 -56.73 -50.14 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' LYS . 19.0 mt -57.65 -47.89 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.85 -49.71 76.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -103.31 9.2 38.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 43.59 43.19 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 99' ' ' PHE . 68.0 mt -90.76 148.9 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 132.55 44.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CB ' HD13 ' A' ' 34' ' ' LEU . 4.3 p90 -179.79 174.72 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.18 150.31 28.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.9 88.62 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.508 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 92.4 t -68.44 83.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.23 104.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 13' ' ' PHE . 9.4 pt -85.36 -21.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -63.19 -49.34 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 mmt -78.65 -53.79 6.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.2 m -83.58 91.91 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.62 -51.72 62.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -39.46 -61.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -43.86 -53.85 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -49.87 -64.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 71.2 mm-40 -44.01 -52.76 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 90.6 t90 -47.81 -54.87 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.9 ttp -46.61 -54.53 9.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.83 -17.19 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -99.15 -16.39 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -114.12 45.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 56.2 t -156.21 115.96 2.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.47 -21.81 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -96.84 -32.4 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mttt -41.81 130.34 2.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 24.7 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 147.88 34.63 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.4 158.87 71.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.03 169.93 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.56 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 158.57 98.91 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.029 -0.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -140.28 88.7 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 10' ' ' ILE . 2.2 mp -63.32 149.96 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 82' ' ' TYR . 14.6 m-85 -158.27 120.51 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.54 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 1.8 m120 -88.46 104.51 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 40.72 60.53 2.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.9 t70 85.66 -43.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 137.71 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CD1' ' CE1' ' A' ' 77' ' ' PHE . 5.9 t80 -88.95 133.3 34.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.95 -72.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.15 165.15 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.84 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.9 t80 -49.91 -51.76 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -39.32 -64.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 2.1 m -50.6 -59.66 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 92.7 t80 -46.47 -58.13 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CD2' ' OH ' ' A' ' 86' ' ' TYR . 26.1 t80 -56.79 -43.99 81.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.2 -14.04 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ASN . 15.6 m -98.6 -46.45 5.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -45.71 -38.57 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.6 -40.95 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . 28.3 t -101.97 7.66 41.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.2 t-20 54.36 46.8 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.5 p -106.57 1.26 25.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.679 HG13 HD11 ' A' ' 102' ' ' LEU . 2.1 t -34.95 -55.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 39' ' ' ILE . 96.2 m-85 -51.08 -52.64 41.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.0 m -65.9 -38.84 89.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.5 t80 -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.733 HD22 HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -99.99 18.06 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.62 23.29 58.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 102' ' ' LEU . 14.8 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' ARG . 3.2 t . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 102' ' ' LEU . 37.7 mm -66.25 77.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' VAL . 96.3 mtt180 -55.0 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -95.85 114.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.4 m-30 -81.03 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.849 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.2 pp -136.72 149.79 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.66 90.95 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -67.82 68.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 47' ' ' THR . 3.4 t -176.44 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -39.01 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -47.44 -27.38 4.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.577 ' HB2' HD12 ' A' ' 23' ' ' ILE . 3.5 m-85 -62.38 81.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -44.63 -38.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.79 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' OE1' ' A' ' 27' ' ' GLN . 90.2 mt -58.88 -37.38 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -72.47 -31.57 65.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -69.93 -46.1 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -60.08 -48.09 83.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.885 ' OE1' HG22 ' A' ' 23' ' ' ILE . 7.7 mt-30 -44.23 -35.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.4 mt-30 -70.27 -66.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.85 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.7 t -69.67 -73.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.9 m -56.37 -50.0 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.1 mmt180 -37.86 -52.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -59.97 -44.81 94.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.0 mt -64.28 -47.68 78.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 32.9 mm-40 -60.17 -49.5 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.25 -24.78 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.6 m-80 -106.2 12.89 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.5 50.82 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 99' ' ' PHE . 77.8 mt -94.53 151.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.86 130.35 40.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 4.1 p90 -178.59 173.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -153.31 143.71 22.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.52 86.8 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 90.9 t -70.07 85.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -56.09 92.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' ILE . 32.0 pt -67.26 -16.06 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.432 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -81.36 -30.65 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 mmt -99.95 -48.57 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.39 -41.11 96.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.8 tt0 66.55 -72.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.5 tm-20 -40.27 -46.13 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -62.12 -42.65 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.1 ttt180 -49.45 -64.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-30 -45.21 -51.91 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 33.9 t90 -49.62 -47.21 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.5 ttp -54.42 -45.47 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.2 m-85 -66.05 -8.94 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -103.07 -9.66 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.5 m-80 -121.29 43.66 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 71' ' ' PRO . 76.7 t -156.04 116.01 2.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -74.94 168.61 24.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.08 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.21 -10.72 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.2 mmmt -107.76 -30.74 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.8 mttt -39.15 123.15 1.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.401 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 91.1 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.736 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.54 158.43 36.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 169.7 22.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 160.47 96.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.02 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -140.72 83.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 3.1 mp -59.95 142.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -152.43 118.24 5.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 10' ' ' ILE . 14.9 t-20 -86.74 86.47 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.11 62.4 6.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER 84.23 -43.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -49.86 121.7 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.546 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.5 t80 -72.16 111.47 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.77 -68.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.98 160.47 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 85' ' ' ASP . 43.5 p30 -79.72 178.64 8.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 21.5 t80 -42.01 -45.74 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.91 -54.64 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -56.19 -57.84 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 83.4 t80 -44.26 -56.67 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -56.28 -55.49 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.0 -48.53 21.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 -26.97 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.17 -22.19 60.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' THR . 8.7 t -103.8 3.97 34.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 52.05 44.43 29.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 95' ' ' SER . 22.0 p -115.02 4.11 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 3.0 t -37.12 -50.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 104' ' ' LEU . 62.0 m-85 -53.48 -50.32 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' THR . 19.9 m -70.29 -38.38 75.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.7 OUTLIER -53.41 -38.92 63.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.82 -23.66 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.2 43.86 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 99' ' ' PHE . 41.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.669 HG21 HD22 ' A' ' 102' ' ' LEU . 32.0 mm -77.97 78.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 93.7 mtt180 -56.5 98.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 71.9 t -95.63 97.9 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.407 ' CZ ' HG11 ' A' ' 44' ' ' VAL . 3.2 m-85 -65.56 136.58 56.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -140.78 161.95 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HB1' ' OG1' ' A' ' 47' ' ' THR . . . -132.45 87.0 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.6 t -37.31 -83.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -61.38 80.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' SER . 29.3 t -131.3 108.1 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.37 84.46 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 20.9 m-85 -154.79 -46.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 80.62 -53.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -58.14 -47.4 83.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 73' ' ' PRO . 91.8 mt -48.43 -48.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -46.9 -63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.5 -58.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 30' ' ' VAL . 91.1 mttt -51.92 -55.32 20.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.2 mt-30 -47.6 -36.48 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.0 mt-30 -73.22 -66.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.5 t70 -36.41 -34.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.0 t -62.96 -88.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.939 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -50.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' VAL . 14.3 mmt180 -37.45 -56.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.57 -46.04 77.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.7 mt -59.16 -54.2 49.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.6 mm-40 -56.68 -51.89 67.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.4 -24.36 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -102.59 10.19 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.86 49.35 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.544 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 81.6 mt -100.85 148.62 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -84.3 136.24 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.939 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 46.1 p90 -170.65 -173.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.8 pt-20 -155.97 143.75 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.75 84.92 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 13' ' ' PHE . 27.9 t -67.58 93.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 49' ' ' SER . 46.2 t0 -65.47 97.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 53' ' ' ARG . 2.1 pt -67.84 -37.82 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.421 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -57.64 -49.27 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.71 -52.04 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m -54.25 -39.71 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 67.05 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -46.25 -54.33 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -50.63 -46.13 58.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 47.3 ttt180 -50.6 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -42.72 -54.51 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 62.2 t90 -52.0 -51.93 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 45.2 ttp -49.71 -48.4 49.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.4 m-30 -62.3 -11.86 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -99.97 -7.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.97 38.89 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.719 HG11 ' HB3' ' A' ' 71' ' ' PRO . 53.7 t -150.34 116.31 3.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.71 22.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.37 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.447 1.761 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.73 -19.3 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' LYS . 27.4 mmtt -98.52 -31.93 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LYS . 32.0 mttt -39.94 132.5 1.48 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.719 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 147.98 34.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 72.8 mt -126.11 158.66 65.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 169.17 23.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.95 158.78 98.78 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.024 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -140.49 89.43 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.021 HG21 HD23 ' A' ' 102' ' ' LEU . 2.0 mp -63.2 140.55 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 10.6 m-85 -154.1 112.44 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 26.6 t-20 -86.71 100.43 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.32 -93.16 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.99 14.92 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 120.27 41.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 4.3 t80 -61.13 121.49 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.573 ' HB2' HG22 ' A' ' 76' ' ' ILE . 85.1 m -94.25 -74.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.3 164.94 23.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -87.55 -173.43 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 51.0 t80 -48.41 -35.69 13.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.69 -52.4 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -64.71 -62.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CZ ' ' CE ' ' A' ' 93' ' ' LYS . 3.1 t80 -37.55 -44.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.94 -45.81 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.5 mt-10 -62.46 -15.07 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ASN . 39.3 m -98.34 -25.2 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CE ' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -67.66 -58.01 5.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -53.56 -24.59 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.98 -19.29 18.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 7.5 t-20 71.96 48.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 6.8 p -124.58 0.1 8.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 102' ' ' LEU . 6.5 t -34.93 -56.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 66.5 m-85 -48.24 -51.45 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.4 t -68.31 -40.68 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 2.6 t80 -55.76 -35.85 66.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -85.4 -22.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.02 37.15 4.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -78.1 77.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -57.44 108.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 10' ' ' ILE . 77.9 t -106.3 123.68 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -85.03 130.73 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 148.81 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -118.28 85.09 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.0 t -39.05 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.71 -81.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -162.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -154.8 31.14 0.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 10.2 m-85 -156.69 94.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -43.31 -28.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 20' ' ' PHE . . . -62.83 -49.48 74.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 27' ' ' GLN . 28.6 mt -57.87 -41.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -36.06 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -63.75 -46.38 85.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.3 mttt -61.39 -48.88 79.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -44.57 -34.27 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.7 mt-30 -69.91 -69.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.8 t0 -39.11 -30.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.8 t -67.3 -65.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.3 m -64.49 -49.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.7 mmt180 -40.37 -53.25 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 98' ' ' VAL . 40.8 t80 -55.9 -50.0 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 41' ' ' PHE . 20.6 mt -58.07 -49.01 78.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.91 -49.18 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.57 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -101.96 10.04 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 22.2 mmmt 43.49 40.82 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 66.9 mt -87.89 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.45 134.11 43.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 34' ' ' LEU . 5.9 p90 -179.29 174.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' OE1' HG22 ' A' ' 44' ' ' VAL . 5.8 pt-20 -153.25 141.93 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 85.28 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' OE1' ' A' ' 42' ' ' GLU . 74.0 t -67.31 84.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -55.43 102.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 73' ' ' PRO . 6.0 pt -77.42 -33.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.56 85.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.51 -50.19 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -101.94 112.22 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.61 -49.26 75.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -43.08 -58.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -47.14 -47.57 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' MET . 3.1 ttt180 -55.54 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -39.52 -51.22 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 79.8 t90 -46.1 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ASN . 61.5 ttp -53.73 -54.06 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -53.11 -18.32 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -96.78 -19.85 18.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.612 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.4 m-80 -108.62 39.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 80.8 t -155.95 115.63 2.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.55 22.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.89 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.59 -16.01 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -103.7 -29.87 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -39.92 119.96 1.44 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.9 p30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.91 138.76 23.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -119.42 158.41 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.04 169.13 23.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 156.98 99.89 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.992 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.598 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 9.5 mm-40 -140.45 76.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.636 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -51.96 150.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 34.3 m-85 -155.73 108.1 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -81.04 93.35 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.49 56.36 22.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER 83.31 -35.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.477 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 3.6 ttt180 -51.5 127.07 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.07 86.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.632 ' CB ' HG22 ' A' ' 76' ' ' ILE . 50.9 t -57.45 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.16 160.21 14.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -75.08 -178.67 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 24.8 t80 -51.37 -43.16 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -56.12 9.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -53.04 -59.42 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 50.7 t80 -44.63 -55.93 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -56.42 -53.19 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -49.06 14.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -73.07 -29.37 62.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.56 -46.96 85.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -2.6 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.3 t-20 60.16 53.29 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 17.9 p -124.3 4.36 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -36.19 -53.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 63.8 m-85 -50.88 -50.46 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t -69.54 -40.11 77.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -53.09 -34.64 57.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -89.76 -23.12 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.45 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 99' ' ' PHE . 62.0 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m 62.25 107.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.17 168.97 12.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.19 156.24 12.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.67 114.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -91.68 -55.24 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.22 179.77 22.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.531 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.2 mtm -111.94 159.48 18.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 8' ' ' MET . 2.7 t -155.34 114.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 102' ' ' LEU . 30.4 mm -76.71 78.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 96.5 mtt180 -57.97 102.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.417 HG22 ' CG1' ' A' ' 76' ' ' ILE . 31.6 t -96.64 112.37 28.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.1 m-30 -76.61 129.39 36.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -134.47 143.07 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -115.6 81.35 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' ALA . 5.7 t -38.51 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.3 OUTLIER -120.98 86.09 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -114.87 -53.46 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.97 -58.23 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -74.86 101.34 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.772 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -50.28 -39.69 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.3 -47.57 13.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.731 HG22 ' OE1' ' A' ' 27' ' ' GLN . 56.6 mt -54.36 -44.72 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.72 5.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.45 -52.07 13.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 30' ' ' VAL . 95.6 mttt -50.98 -48.98 61.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.731 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -55.7 -35.69 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.0 mt-30 -69.33 -66.96 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -38.54 -31.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 26' ' ' LYS . 78.8 t -68.53 -74.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.5 m -52.79 -47.76 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 13.3 mmt-85 -44.48 -56.66 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -51.79 -50.55 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 39' ' ' ILE . 23.5 mt -56.15 -51.36 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.87 -50.52 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.85 66.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -101.75 7.3 41.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 49.86 41.53 22.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 88.6 mt -94.79 144.5 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -79.21 137.17 37.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -173.99 -179.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.472 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 11.3 pt-20 -150.93 142.53 23.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.99 90.47 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 55.5 t -72.08 94.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -64.01 91.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.703 HD12 ' HG3' ' A' ' 53' ' ' ARG . 44.5 pt -65.76 -29.02 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.67 -47.61 82.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.13 -53.21 32.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -97.07 104.84 16.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -52.68 -51.24 61.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -44.22 -59.98 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' OE1' ' CG1' ' A' ' 44' ' ' VAL . 35.9 mm-40 -38.7 -50.8 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.703 ' HG3' HD12 ' A' ' 46' ' ' ILE . 2.7 ttp-105 -63.24 -55.72 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -47.57 -45.97 27.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.589 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 73.2 t90 -53.87 -58.01 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.413 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.4 tmm? -46.36 -50.39 16.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.5 m-30 -56.81 -15.38 4.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -99.64 -12.37 20.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.629 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.1 m-80 -118.83 44.17 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.5 t -155.18 115.66 2.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.2 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.65 8.95 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 28.1 mmtt -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 30.6 mttt -39.84 120.15 1.43 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.96 172.03 17.16 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.5 m 37.45 -97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' PRO . 2.3 pt20 -166.02 141.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 -158.48 27.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 68.3 m-20 -46.71 156.1 0.55 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.792 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 136.07 19.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.7 mt -114.6 158.47 40.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.0 169.0 23.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 160.22 96.87 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.984 0.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 12.2 mm-40 -140.23 73.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.94 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -51.17 141.02 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.481 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 18.8 m-85 -148.38 110.72 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 34.4 t-20 -85.55 98.51 10.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.12 -91.7 0.63 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.78 13.86 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 127.66 53.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -66.15 105.35 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.2 m -70.79 -75.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 108.263 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.9 150.25 5.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -69.31 -178.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 29.9 t80 -49.08 -35.14 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -50.73 69.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.529 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.87 -60.19 4.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.581 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.4 t80 -45.21 -59.66 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.54 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 4.8 t80 -51.4 -50.33 59.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.68 -16.35 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' HG ' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -94.84 -44.93 7.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 6.5 mtmp? -47.06 -40.85 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.4 -33.14 70.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 92' ' ' SER . 23.3 t -100.9 -1.56 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.7 t-20 57.23 45.81 19.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 p -115.83 8.82 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.499 ' N ' ' HG ' ' A' ' 92' ' ' SER . 2.1 t -41.22 -44.98 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 64.8 m-85 -56.86 -54.5 45.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.0 m -67.05 -31.81 72.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -61.8 -33.75 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.94 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.0 mt -89.6 -22.03 22.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.51 33.56 4.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -100.11 55.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.16 81.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 t -176.41 84.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.97 172.29 30.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 141.05 26.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.29 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.77 159.62 18.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -143.3 149.68 38.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -156.85 -61.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.949 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.68 163.34 43.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.47 -55.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m 62.98 106.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.27 137.85 33.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.55 ' O ' HG23 ' A' ' 9' ' ' VAL . 10.1 mtt -79.1 159.21 27.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' MET . 2.5 t -156.16 114.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.776 HG21 HD22 ' A' ' 102' ' ' LEU . 35.0 mm -77.23 82.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 48.1 mtm180 -61.47 95.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' ILE . 58.0 t -88.93 108.25 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.7 m-30 -76.53 125.1 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.2 pp -132.5 150.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -124.89 87.88 2.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.8 t -37.93 -82.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.77 77.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' SER . 48.6 p -111.13 -49.37 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.3 -63.16 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.43 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.2 -34.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.52 -47.97 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 73' ' ' PRO . 61.4 mt -54.66 -53.01 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -43.33 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -39.83 -47.26 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.8 mttt -63.51 -52.82 59.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 29.0 mt-30 -52.24 -28.32 18.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 30' ' ' VAL . 1.9 mm100 -79.67 -60.1 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' GLN . 1.2 t0 -40.17 -30.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.5 t -67.0 -89.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.831 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.28 -54.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 mmt180 -37.63 -55.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD2' ' HD2' ' A' ' 93' ' ' LYS . 23.3 t80 -57.33 -45.91 83.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -62.22 -50.6 71.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 53.3 mm-40 -58.68 -49.69 76.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -23.84 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -102.01 5.76 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 51.01 47.64 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.482 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 96.8 mt -98.9 149.27 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -81.58 136.98 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.831 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 36.0 p90 -174.54 -176.64 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 9.3 pt-20 -154.43 141.26 19.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.93 88.38 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 41.1 t -70.09 91.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' OD1' ' HB ' ' A' ' 47' ' ' THR . 19.3 t0 -62.45 84.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.786 HD12 ' HG3' ' A' ' 53' ' ' ARG . 14.9 pt -60.73 -20.99 22.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 ' HB ' ' OD1' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -64.89 -48.44 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.42 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.408 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.6 mmt -71.41 -57.64 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.2 m -86.53 103.29 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -55.11 -55.26 33.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -41.05 -58.5 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -41.33 -50.18 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD12 ' A' ' 46' ' ' ILE . 34.3 ttt180 -61.62 -56.8 15.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -46.23 -46.78 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 88.3 t90 -51.77 -56.46 13.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -48.39 -51.54 26.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.5 m-30 -55.64 -15.68 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.07 -17.01 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.624 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.1 m-80 -112.37 42.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.3 t -155.27 115.32 2.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.62 22.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.81 8.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.51 -10.27 59.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -110.68 -26.5 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -40.25 118.77 1.45 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.2 Cg_endo -75.04 171.37 18.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' PRO . 64.8 m 35.52 -105.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -152.65 161.35 42.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.57 -157.27 52.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 p30 -50.05 159.9 0.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.578 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.91 131.32 14.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.1 mt -111.04 158.76 34.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.02 169.64 22.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.93 161.78 94.13 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.023 -0.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -140.85 79.02 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.079 HG21 HD23 ' A' ' 102' ' ' LEU . 3.4 mp -51.84 135.9 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 11.4 m-85 -147.17 107.46 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 33.5 t-20 -80.56 89.94 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 77.56 -91.76 1.07 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -137.56 13.2 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.08 119.01 38.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 4.0 t80 -59.56 111.71 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 47.0 m -84.87 -64.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.326 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 154.7 162.41 11.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -83.02 179.6 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 26' ' ' LYS . 29.1 t80 -41.72 -45.16 3.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.17 -57.48 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.565 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 88.6 t80 -51.25 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -47.43 -54.82 10.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -45.35 34.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 m -73.51 -23.51 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -63.99 -46.61 83.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.68 -27.49 67.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 -0.74 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 55.97 55.92 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.4 p -125.81 2.34 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.8 t -37.68 -54.0 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' HA ' HD12 ' A' ' 104' ' ' LEU . 48.0 m-85 -48.28 -52.19 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -44.53 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.4 t80 -47.69 -37.22 12.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.079 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -83.59 -27.21 29.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.93 32.4 2.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.5 mt -100.49 130.36 46.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 119.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.28 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.11 -152.39 48.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.02 3.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.768 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.4 p -98.29 145.47 26.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 67.3 m 49.15 95.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 p -110.42 137.35 48.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t 61.6 152.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.37 -152.26 22.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.25 142.47 50.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -121.24 132.26 54.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.15 141.8 8.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 11.2 mtm -97.84 122.28 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -87.72 114.21 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 102' ' ' LEU . 32.2 mm -76.47 79.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 97.7 mtt180 -59.27 96.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 97.0 t -91.54 116.74 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -82.36 131.24 35.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.815 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -138.92 149.27 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.38 89.4 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 t -40.14 -29.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' ALA . 19.5 m -104.3 73.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.8 p -123.24 88.69 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.956 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.51 -29.89 0.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-85 -77.58 94.83 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.32 -44.44 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.89 -46.46 10.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.944 HG22 ' OE1' ' A' ' 27' ' ' GLN . 65.3 mt -56.85 -51.59 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -52.0 -56.92 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -40.34 -49.9 2.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -57.66 -54.52 45.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.944 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.9 mt-30 -44.05 -39.11 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' ASP . 6.3 mt-30 -68.58 -65.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -36.71 -35.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.8 t -63.8 -88.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.11 -53.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.2 mmt180 -37.37 -59.03 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -56.53 -46.86 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 31' ' ' VAL . 14.3 mt -59.01 -49.66 77.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.152 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 5.5 mm-40 -60.71 -49.69 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.405 ' CB ' HG13 ' A' ' 39' ' ' ILE . 22.9 m-80 -104.83 14.67 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 42.49 49.89 4.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 109.329 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 34' ' ' LEU . 64.0 mt -100.04 146.36 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 8' ' ' MET . 2.5 pt-20 -81.41 135.74 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.785 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -173.52 179.09 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 5.9 pt-20 -149.62 143.66 25.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.63 90.86 7.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 59.0 t -71.11 85.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -58.38 96.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' HG3' ' A' ' 53' ' ' ARG . 29.9 pt -69.02 -34.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -50.78 72.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mmt -62.42 -54.22 43.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.9 m -99.4 114.79 27.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.98 -57.85 10.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.346 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.79 -60.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -38.45 -53.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HG3' HD12 ' A' ' 46' ' ' ILE . 3.0 ttp180 -58.64 -52.73 64.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -50.04 -44.23 51.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 82.8 t90 -54.34 -59.83 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 107.99 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.509 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 9.3 tmm? -46.07 -51.12 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -54.44 -16.25 2.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -100.15 -15.81 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.684 ' N ' HD22 ' A' ' 59' ' ' ASN . 0.9 OUTLIER -112.98 39.21 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 71' ' ' PRO . 87.5 t -156.7 115.67 2.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.35 8.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.84 -31.2 70.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.6 mmtt -88.53 -29.58 19.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.45 123.85 1.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.98 169.37 22.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 53.2 m 36.42 -96.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' PRO . 3.2 pp0? -163.39 151.36 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.29 -165.22 48.38 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -40.85 157.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.747 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.589 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.01 125.01 9.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -101.95 158.42 31.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 168.5 24.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 167.51 80.25 Favored 'Cis proline' 0 C--N 1.361 1.201 0 C-N-CA 120.94 -2.525 . . . . 0.0 111.028 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -144.8 73.81 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.893 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -50.11 137.73 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -145.8 106.83 4.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -77.17 83.94 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.6 -93.24 1.56 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -134.24 16.96 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.31 134.29 53.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 60' ' ' VAL . 7.4 t80 -69.57 120.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 33.1 m -88.89 -70.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 108.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.41 149.17 5.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.05 178.64 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 19.6 t80 -47.59 -43.65 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -48.89 -55.72 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.4 m -49.54 -57.82 6.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 89.1 t80 -46.27 -61.92 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.07 -55.75 16.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -47.08 -45.08 21.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -30.37 65.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -57.04 -49.69 75.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -57.66 -27.77 63.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -99.43 6.77 45.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 47.12 55.35 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' SER . 3.2 p -127.52 3.33 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 4.4 t -36.83 -50.75 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.423 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 31.9 m-85 -52.66 -51.5 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.7 t -68.74 -38.65 80.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 1.2 t80 -54.58 -37.91 66.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.893 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -84.82 -25.31 28.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.0 38.66 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.44 59.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -174.36 175.86 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 m 69.93 -61.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LYS . . . -57.78 -165.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 t 62.35 95.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -58.84 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.29 90.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.78 . . . . 0.0 110.029 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -118.8 149.77 40.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.97 -172.08 16.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -129.6 166.04 20.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -96.49 68.29 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.9 148.54 2.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.501 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 16.7 mtm -96.78 123.9 40.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -91.62 117.51 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.796 HG22 HG23 ' A' ' 12' ' ' VAL . 31.9 mm -78.07 85.87 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 79' ' ' GLY . 31.2 mtm105 -65.13 87.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.796 HG23 HG22 ' A' ' 10' ' ' ILE . 71.7 t -86.95 118.18 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' HD2' HG21 ' A' ' 46' ' ' ILE . 4.8 m-85 -77.65 135.68 38.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.3 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.54 87.47 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -38.17 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.652 ' H ' HG21 ' A' ' 47' ' ' THR . 1.2 t -74.65 83.68 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 -72.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.71 -30.69 1.53 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.614 ' HB2' HD12 ' A' ' 23' ' ' ILE . 8.7 m-85 -94.92 93.46 7.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.757 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 p -49.17 -36.06 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.5 72.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.876 HG22 ' OE1' ' A' ' 27' ' ' GLN . 61.1 mt -53.83 -43.54 56.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -59.64 -53.23 60.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.24 -50.76 28.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.6 mttt -53.37 -47.98 68.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.876 ' OE1' HG22 ' A' ' 23' ' ' ILE . 12.1 mt-30 -53.49 -36.42 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 30.2 mt-30 -68.35 -69.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -38.59 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 26' ' ' LYS . 74.1 t -68.24 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.1 m -56.71 -49.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mmt-85 -40.41 -53.55 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.43 -51.22 67.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 39' ' ' ILE . 21.1 mt -56.37 -52.7 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -55.93 -51.39 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.42 -21.53 65.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -101.78 4.06 40.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' LEU . 42.1 mmtt 55.15 32.4 18.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.649 HG21 HD22 ' A' ' 34' ' ' LEU . 61.4 mt -83.13 146.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 8' ' ' MET . 1.9 pt-20 -81.99 136.48 35.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -175.24 177.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.38 138.78 26.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' OE2' HG11 ' A' ' 31' ' ' VAL . 16.3 mt-10 -89.16 80.03 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.41 97.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.4 t0 -68.46 107.12 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.647 HD11 ' HG3' ' A' ' 73' ' ' PRO . 8.2 pt -85.79 -36.56 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.652 HG21 ' H ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 -31.45 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.437 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 13.7 mmt -87.2 -49.71 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.041 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -99.76 95.16 6.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.0 -51.43 13.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.02 -57.47 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -44.24 -46.39 8.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -58.63 -64.29 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -43.95 -56.07 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 42.4 t90 -47.68 -46.07 28.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 13' ' ' PHE . 31.7 ttp -58.45 -44.14 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.11 -8.93 26.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -102.83 -10.93 18.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -117.36 39.3 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG11 ' HB3' ' A' ' 71' ' ' PRO . 77.2 t -155.88 115.88 2.22 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.4 Cg_endo -74.94 169.32 22.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -74.95 -28.36 9.32 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.72 -9.25 58.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.3 mmmt -111.44 -27.48 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.5 mttt -39.24 117.77 1.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.523 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.02 154.62 42.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 66' ' ' PRO . 25.5 m 35.31 -120.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -52.27 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . -67.15 -81.14 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.1 m120 -38.89 138.36 0.82 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.695 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 129.46 12.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -117.81 158.51 45.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.697 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.08 169.0 23.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.0 158.76 98.8 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.995 -2.502 . . . . 0.0 110.996 0.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -140.7 84.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.953 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -57.8 140.92 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.7 m-85 -153.56 108.55 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.499 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 14.4 t-20 -82.43 95.64 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' O ' ' NH2' ' A' ' 11' ' ' ARG . . . 76.45 -91.68 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -138.15 14.05 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.1 130.98 54.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.8 t80 -68.04 118.78 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 76' ' ' ILE . 55.7 m -86.63 -68.41 0.75 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.301 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.47 155.79 7.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.64 -177.24 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 0.821 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD2' ' HG2' ' A' ' 26' ' ' LYS . 2.5 t80 -52.09 -39.1 59.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -57.31 -52.69 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.99 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 73.6 t80 -46.93 -60.31 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -53.29 -52.64 58.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.65 -50.57 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 1.2 m -71.29 -25.14 62.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 3.7 ttpp -62.37 -48.37 80.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -59.58 -27.81 66.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 97' ' ' THR . 21.1 t -100.9 7.17 43.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 49.43 57.56 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' SER . 53.6 p -128.02 3.15 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 102' ' ' LEU . 4.2 t -37.54 -53.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 49.6 m-85 -48.89 -51.37 30.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -43.4 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -49.28 -39.88 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.953 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.94 -21.34 29.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.87 49.51 1.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 99' ' ' PHE . 71.7 mt -108.78 -107.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 39.65 79.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 27.5 t -156.28 76.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 62.79 -171.6 11.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 74.49 3.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -86.84 -44.54 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -106.61 89.5 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.47 126.47 55.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -142.49 158.46 43.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.24 148.27 5.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -168.07 94.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.6 136.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.87 -179.12 20.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.73 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.5 mtm -115.91 165.05 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 8' ' ' MET . 3.8 t -161.07 101.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 102' ' ' LEU . 33.6 mm -65.85 74.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' VAL . 91.9 mtt180 -51.8 103.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 10' ' ' ILE . 44.8 t -98.47 112.38 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.3 m-85 -77.78 132.81 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pp -134.89 149.74 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . . . -125.86 77.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -65.66 73.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.4 t -176.87 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' SER . 27.6 t -39.42 145.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.43 46.15 3.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.738 ' HB2' HD12 ' A' ' 23' ' ' ILE . 14.9 m-85 -138.87 84.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 p -51.46 -32.32 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.07 66.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.028 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.1 mt -68.63 -37.45 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -56.99 -63.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.66 -53.92 2.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 45.2 mttt -51.86 -54.02 33.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 1.028 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -47.61 -42.85 25.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -67.4 -63.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.59 -31.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' VAL . 47.3 t -73.09 -88.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.894 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -38.97 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.5 mmt180 -38.16 -54.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -59.87 -45.14 93.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -61.86 -46.22 90.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.9 mm-40 -62.77 -48.81 77.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -25.85 68.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.428 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 48.5 m-80 -104.81 11.35 33.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' LEU . 7.3 mmtt 39.13 53.08 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.39 155.68 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.4 mt-10 -72.56 127.47 32.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.894 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.3 p90 -178.91 178.75 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 4.2 pt-20 -159.43 154.06 24.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -96.46 79.14 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.56 93.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -62.36 110.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 73' ' ' PRO . 4.7 pt -92.19 -21.31 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -36.76 81.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.4 mmt -89.85 -47.88 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -92.31 90.72 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.76 -47.87 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -42.56 -56.29 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -48.41 -49.96 32.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.98 -61.95 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -46.42 -59.22 3.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 71.2 t90 -44.86 -49.84 10.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.418 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 24.2 ttp -57.01 -41.88 79.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.3 m-30 -71.24 -3.97 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -106.24 -10.87 16.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.547 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.5 m-80 -118.46 35.0 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 71' ' ' PRO . 93.8 t -153.24 115.64 2.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 172.59 16.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.34 7.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -68.39 -15.79 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.9 mmtt -102.05 -32.14 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 26.6 mttt -39.47 124.4 1.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.01 175.18 11.59 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 51.4 m 36.85 -97.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' PRO . 6.7 pt20 -167.74 123.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.54 -162.57 12.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -42.63 158.39 0.22 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.598 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.06 123.8 8.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -105.81 158.23 32.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.623 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.5 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.04 158.87 98.69 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.951 -2.521 . . . . 0.0 111.003 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.24 82.49 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.814 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -59.04 135.86 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -148.28 110.59 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.2 t-20 -81.02 84.33 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.99 -93.13 1.67 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 7.7 t0 -133.12 11.13 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -110.02 127.13 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.8 t80 -67.15 126.7 30.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.553 ' HB2' HG22 ' A' ' 76' ' ' ILE . 1.9 m -94.35 -65.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.42 155.68 8.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 58.1 p30 -78.49 176.77 9.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 16.0 t80 -44.85 -30.37 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.426 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 2.0 t0 -61.33 -45.61 93.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -66.3 -52.0 51.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 79.1 t80 -47.04 -58.77 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -55.02 -52.24 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.86 -51.62 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -70.69 -25.33 62.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.85 -45.62 88.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.4 -29.94 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 97' ' ' THR . 8.5 t -101.67 6.48 41.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 52.32 59.42 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 21.4 p -127.98 4.37 5.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.602 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -38.19 -50.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LEU . 46.8 m-85 -52.21 -53.82 38.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -37.83 85.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -56.71 -33.57 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.814 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -95.92 8.95 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.74 41.86 81.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 99' ' ' PHE . 14.3 mt -108.95 61.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.88 82.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.87 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.49 179.51 16.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 66.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.534 1.808 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.0 t -107.7 140.73 40.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.6 164.97 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 p -176.74 145.77 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 0.725 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -167.77 132.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.5 116.98 1.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -161.14 128.98 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 110.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.15 88.48 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 134.68 7.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.56 ' O ' HG23 ' A' ' 9' ' ' VAL . 36.5 mtp -106.56 171.82 7.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.75 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 8' ' ' MET . 3.4 t -156.18 101.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.819 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.9 mm -70.78 74.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 92.1 mtt180 -48.09 103.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ILE . 85.7 t -101.45 98.83 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.88 136.4 55.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -141.49 152.0 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -124.7 85.87 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' SER . 1.4 t -37.99 -90.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.414 ' N ' ' OG ' ' A' ' 16' ' ' SER . 0.4 OUTLIER -62.3 81.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' SER . 19.5 t -112.31 -60.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.82 -63.03 0.62 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -59.44 99.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -55.93 -30.61 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.52 65.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 73' ' ' PRO . 68.1 mt -53.32 -48.52 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.84 -63.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -45.21 -55.65 5.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.71 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.2 mttt -51.66 -52.76 45.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 31' ' ' VAL . 28.5 mt-30 -49.53 -36.17 22.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' VAL . 14.4 mt-30 -71.27 -68.38 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.9 t0 -38.65 -31.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 26' ' ' LYS . 51.4 t -65.01 -65.89 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -65.03 -49.95 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 10.9 mmt-85 -39.32 -50.99 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 98' ' ' VAL . 31.9 t80 -59.17 -50.54 73.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LYS . 16.1 mt -57.82 -47.49 82.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.8 mm-40 -59.56 -48.82 80.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.57 -22.76 65.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 31.8 m-80 -102.46 9.28 39.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER 44.8 49.7 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.716 HD11 ' CE1' ' A' ' 99' ' ' PHE . 80.1 mt -102.11 145.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 2.0 mp0 -71.73 141.33 49.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 8.3 p90 179.06 172.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.575 ' OE1' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -150.26 139.25 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -85.86 79.78 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG22 ' OE1' ' A' ' 42' ' ' GLU . 69.5 t -66.24 93.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -64.68 95.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 8.3 pt -68.08 -34.74 68.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.12 -46.43 85.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 mmt -70.15 -55.08 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 m -92.75 103.33 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.34 -56.66 14.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -40.62 -62.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 24.6 mm-40 -38.0 -55.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.6 ttp-105 -55.29 -53.11 60.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -49.61 -55.1 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 58.4 t90 -51.61 -49.32 62.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 107.99 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.5 ttp -54.35 -44.29 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.6 m-30 -66.42 -8.67 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -103.59 -9.99 18.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.4 m-80 -118.23 36.72 4.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.1 t -151.83 115.71 3.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -29.08 8.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -68.73 -19.0 64.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 14.8 mmtt -101.62 -30.59 11.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.6 mttt -40.33 120.51 1.6 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 171.93 17.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' PRO . 50.2 m 36.88 -96.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' PRO . 1.6 pp0? -166.66 138.82 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.49 -161.58 26.3 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 5.9 p30 -43.89 155.46 0.33 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 122.91 7.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.3 158.56 31.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -74.96 169.36 22.8 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.03 158.43 98.98 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.96 0.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.51 88.42 2.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.963 HG21 HD23 ' A' ' 102' ' ' LEU . 3.6 mp -63.08 138.94 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.8 m-85 -149.99 110.02 4.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 27.5 t-20 -85.64 99.56 11.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.36 -94.2 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -135.31 11.69 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.51 126.87 52.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 5.9 t80 -67.74 117.1 9.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.8 m -82.0 -66.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.05 157.09 8.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 15.9 p-10 -71.37 -176.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 3.1 t80 -52.48 -38.35 59.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -50.9 65.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.554 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -58.49 -52.51 65.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.8 t80 -47.76 -59.8 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' LYS . 3.2 t80 -53.44 -53.69 47.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.94 -50.94 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.5 OUTLIER -71.17 -25.45 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -63.58 -43.11 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.04 -32.14 69.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.23 7.2 40.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 53.0 60.89 3.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -126.43 1.5 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 33' ' ' PHE . 2.7 t -36.74 -55.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.716 ' CE1' HD11 ' A' ' 39' ' ' ILE . 62.4 m-85 -48.58 -51.3 28.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 t -69.14 -39.82 78.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -55.48 -36.72 66.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.963 HD23 HG21 ' A' ' 76' ' ' ILE . 1.1 mt -81.66 -23.51 36.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.08 34.28 2.79 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 99' ' ' PHE . 7.6 mt -106.95 136.52 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt 68.33 -68.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 104' ' ' LEU . 2.8 m -61.04 -55.39 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -57.85 176.91 1.6 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.132 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.51 5.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.9 p -95.84 154.3 17.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 40.1 t -158.78 99.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t 63.46 113.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.22 108.68 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.84 -157.51 41.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t 65.15 119.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.787 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 m -92.36 90.1 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.4 -158.81 3.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.644 ' O ' HG23 ' A' ' 9' ' ' VAL . 17.6 mtm -106.2 164.44 12.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 8' ' ' MET . 2.8 t -158.42 111.02 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG23 ' A' ' 12' ' ' VAL . 37.9 mm -75.06 78.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 94.1 mtt180 -58.16 101.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.1 t -98.78 117.45 43.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.5 m-30 -80.58 132.12 35.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pp -135.54 147.37 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -118.72 83.62 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.51 -30.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ALA . 4.1 t -112.77 116.23 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.92 115.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.01 -68.28 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' HB2' HD12 ' A' ' 23' ' ' ILE . 82.2 m-85 -42.98 105.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.36 -34.32 53.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.63 -43.83 26.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.768 HG22 ' OE1' ' A' ' 27' ' ' GLN . 86.6 mt -50.74 -54.53 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.23 -64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.29 -54.92 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 43.1 mttt -50.24 -56.59 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.768 ' OE1' HG22 ' A' ' 23' ' ' ILE . 23.7 mt-30 -44.4 -41.24 6.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' VAL . 10.3 mt-30 -69.52 -61.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -38.7 -31.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 26' ' ' LYS . 72.1 t -71.18 -89.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.901 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.01 -50.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 29.2 mmt-85 -37.53 -54.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 17.5 t80 -59.0 -48.36 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.2 mt -57.86 -49.87 75.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 6.7 mm-40 -59.97 -48.02 83.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.34 -21.76 66.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 13.1 m-80 -100.98 -0.19 37.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER 57.64 36.89 27.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 99' ' ' PHE . 74.7 mt -88.98 151.6 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -83.94 136.3 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.901 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 34.5 p90 -172.89 179.24 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 7.7 pt-20 -149.67 141.82 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.85 90.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.57 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 60.2 t -68.96 89.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.88 97.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.646 HG21 ' CD2' ' A' ' 13' ' ' PHE . 11.6 pt -80.32 -16.64 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -41.36 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mmt -77.67 -51.92 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -94.64 118.7 32.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.33 -53.04 40.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -39.65 -62.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -38.88 -55.1 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -54.15 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -49.71 -45.63 49.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 69.7 t90 -53.33 -58.21 7.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.049 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 56' ' ' MET . 3.2 tmm? -46.09 -51.18 14.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -56.63 -16.2 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -99.3 -13.33 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.599 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -119.34 47.43 1.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.789 HG11 ' HB3' ' A' ' 71' ' ' PRO . 58.9 t -158.0 116.64 1.85 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.75 21.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.59 9.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.39 -23.53 63.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.1 mmtm -94.94 -32.17 13.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 21.9 mttt -39.39 119.51 1.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.05 157.69 42.41 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.492 ' O ' ' CG ' ' A' ' 68' ' ' GLN . 65.6 m 36.65 -115.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.362 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 67' ' ' THR . 64.8 mt-30 -158.67 135.01 9.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . 110.48 74.78 0.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.4 OUTLIER 56.39 164.45 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.789 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.98 134.36 17.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -117.49 158.76 44.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.582 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.2 Cg_endo -75.08 169.47 22.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.553 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.5 Cg_endo -74.94 162.82 92.06 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.022 -0.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 20.8 mm-40 -141.02 71.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.91 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -49.61 139.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 15.5 m-85 -147.88 109.6 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 27.8 t-20 -81.13 86.73 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 57.32 54.75 34.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.8 m-20 85.83 -38.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.05 109.72 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.501 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -59.67 108.54 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 67.0 m -82.57 -70.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.38 150.84 5.94 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -67.82 174.86 3.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 27.2 t80 -38.81 -45.47 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.43 -56.47 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 70.1 m -50.56 -55.69 15.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 77.1 t80 -49.65 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 93' ' ' LYS . 22.0 t80 -45.52 -58.49 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.91 -42.35 26.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -25.94 59.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.57 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.07 -51.13 70.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -55.32 -27.57 47.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 97' ' ' THR . 9.9 t -100.01 9.29 43.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.959 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 43.3 50.72 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 95' ' ' SER . 33.3 p -120.84 2.51 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 102' ' ' LEU . 2.9 t -36.37 -53.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CE2' HD11 ' A' ' 39' ' ' ILE . 69.3 m-85 -50.5 -52.34 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.57 -38.35 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.9 t80 -58.3 -33.41 69.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.91 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.4 mt -90.31 -26.63 19.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 42.44 2.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.168 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.92 42.8 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.98 81.53 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.2 p -175.89 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.959 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 92.28 178.64 41.44 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m 73.63 -59.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 15.5 m -148.87 104.66 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -119.81 164.52 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.029 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t 65.14 98.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.53 119.4 0.64 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -104.53 78.93 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.86 90.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.09 133.32 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 13.9 mtm -104.22 120.14 40.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.66 HD12 ' HB3' ' A' ' 102' ' ' LEU . 31.1 mm -74.94 77.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 95.5 mtt180 -57.33 93.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 73.3 t -92.74 116.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -79.92 134.34 36.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.83 154.0 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -129.29 91.41 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -38.48 -57.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.3 89.59 4.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -0.48 8.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 75.08 -62.61 2.53 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 23' ' ' ILE . 34.8 m-85 -60.95 102.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -65.57 -17.41 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.78 -41.47 68.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.784 HG23 ' O ' ' A' ' 73' ' ' PRO . 87.4 mt -66.72 -34.59 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HE2' HG23 ' A' ' 21' ' ' VAL . 1.4 ttpt -69.57 -31.96 70.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -50.31 63.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 53.9 mttt -58.01 -44.61 87.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.495 ' OE1' HG22 ' A' ' 23' ' ' ILE . 18.9 mt-30 -47.62 -38.03 13.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.5 mt-30 -70.74 -53.07 16.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' GLN . 3.5 t0 -40.25 -34.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 71.5 t -68.03 -87.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.86 -54.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 12.1 mmt180 -37.72 -58.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 98' ' ' VAL . 21.3 t80 -55.62 -48.13 75.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 13.2 mt -58.57 -51.31 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 7.9 mm-40 -58.51 -49.15 78.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.6 -21.9 66.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -100.65 -0.85 36.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' LEU . 2.2 mmmt 59.59 33.56 22.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 70.6 mt -85.87 150.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 8' ' ' MET . 1.9 pt-20 -85.42 136.07 33.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.816 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 38.6 p90 -171.31 -177.01 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 8.8 pt-20 -152.86 140.41 19.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.38 90.19 7.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.563 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 89.3 t -70.59 88.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -60.57 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 ' HG3' ' A' ' 53' ' ' ARG . 5.0 pt -70.1 -28.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.84 -36.35 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mmt -89.48 -49.2 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 95.88 9.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -55.08 -42.56 72.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' GLN . 15.7 tt0 -57.1 -62.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' GLU . 28.5 mm-40 -38.15 -55.65 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG3' HD12 ' A' ' 46' ' ' ILE . 11.5 ttt180 -54.43 -52.75 60.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -52.66 -45.76 66.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 85.3 t90 -53.52 -57.45 10.67 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.437 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 14.0 tmm? -46.02 -53.23 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -53.28 -17.67 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -97.69 -20.64 17.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.3 m-80 -110.46 43.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 71' ' ' PRO . 69.8 t -155.65 115.51 2.25 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.52 18.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.52 8.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -66.95 -34.59 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.2 mmtt -82.86 -35.38 26.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.5 mttt -40.42 134.54 1.54 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -74.98 -82.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -45.48 -95.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -171.03 -46.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -71.05 -93.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 p-10 -100.57 158.62 31.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 0.785 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.5 Cg_endo -74.98 144.64 30.58 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -123.7 158.57 59.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.784 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 168.68 24.28 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.481 1.779 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.97 159.6 97.78 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.033 -0.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 39.3 mm-40 -136.29 75.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -50.64 136.02 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 14.1 m-85 -147.23 108.47 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 32.9 t-20 -85.46 100.11 11.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.28 -90.19 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -139.53 14.75 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.54 122.05 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.8 t80 -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.653 ' HB2' HG22 ' A' ' 76' ' ' ILE . 67.2 m -76.07 -70.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.53 163.06 14.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.416 ' OD1' ' CB ' ' A' ' 87' ' ' ASP . 54.3 p30 -78.27 179.81 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 42.2 t80 -51.4 -30.84 20.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' CB ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -59.58 -46.98 87.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 m -61.51 -57.69 11.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 90.3 t80 -43.76 -55.41 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -56.2 -47.24 78.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.1 -13.79 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' ASN . 2.1 m -98.69 -38.25 9.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 7.2 mtmp? -52.92 -37.56 60.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.68 -37.02 72.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.5 OUTLIER -101.53 -1.56 32.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.1 t-20 60.69 39.02 18.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 95' ' ' SER . 9.0 p -101.63 4.79 41.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.532 HG13 HD11 ' A' ' 102' ' ' LEU . 1.9 t -38.31 -50.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 23.3 m-85 -51.59 -54.42 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -40.75 87.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -52.45 -35.67 52.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 1.2 mt -87.31 -24.38 24.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.07 32.48 3.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 99' ' ' PHE . 11.7 mt -102.4 65.69 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 0.796 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' SER . 1.3 mtmt 173.55 -62.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LYS . 0.3 OUTLIER -38.69 -57.59 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.997 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -68.43 148.51 48.68 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.47 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 66.5 m -144.59 109.08 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.15 164.22 37.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 p -114.17 -58.51 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 t -124.16 114.84 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.62 102.34 0.17 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.57 156.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.024 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -103.01 -55.73 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.88 -174.48 40.84 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.705 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.0 mtm -105.69 162.78 13.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 8' ' ' MET . 3.1 t -160.6 104.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.751 ' CG2' HG23 ' A' ' 76' ' ' ILE . 39.9 mm -66.38 76.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' VAL . 98.7 mtt180 -55.13 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.5 t -97.9 123.35 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.612 ' HD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -87.97 136.88 32.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.3 pp -136.96 142.43 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -120.45 84.65 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t -47.85 -37.51 14.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.32 -33.43 73.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ALA . 23.3 p -39.08 120.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.21 -63.07 4.38 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -38.07 116.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -72.03 -35.82 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.71 -37.58 3.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.11 -52.42 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -41.01 -66.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.8 -55.35 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 58.4 mttt -53.14 -62.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 31' ' ' VAL . 29.2 mt-30 -40.68 -37.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' VAL . 39.9 mt-30 -72.16 -67.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' GLN . 6.0 t0 -38.71 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 HG11 ' A' ' 12' ' ' VAL . 20.5 t -65.56 -66.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.2 m -65.94 -49.66 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 28.9 mmt-85 -38.31 -50.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -61.68 -46.24 90.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -63.04 -47.31 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 66.7 mm-40 -59.96 -50.02 75.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.81 68.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' LYS . 45.2 m-80 -104.62 12.93 32.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' LEU . 6.7 mmmt 39.13 50.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.577 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 72.6 mt -94.55 150.69 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.29 129.28 38.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 31' ' ' VAL . 3.6 p90 -178.73 173.68 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -154.3 143.59 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' OE2' HG11 ' A' ' 31' ' ' VAL . 15.7 mt-10 -89.1 84.24 6.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 77.8 t -65.37 84.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -55.37 101.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 13' ' ' PHE . 14.3 pt -83.07 -20.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.58 -30.12 66.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.9 mmt -91.65 -41.53 10.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -103.08 106.67 17.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -49.82 75.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -42.95 -61.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -43.05 -52.26 5.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -48.54 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -42.03 -53.14 4.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.601 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 43.8 t90 -49.48 -51.03 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.018 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ttp -54.7 -41.56 70.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 5.0 m-30 -70.82 -5.12 27.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -106.38 -13.19 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.601 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.5 m-80 -115.69 39.88 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.804 HG11 ' HB3' ' A' ' 71' ' ' PRO . 72.0 t -154.43 115.72 2.5 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 171.14 18.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.37 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -69.69 -18.54 63.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.0 mmmt -101.07 -30.88 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.2 mttt -39.9 120.61 1.48 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.99 169.27 22.99 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.542 1.811 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' PRO . 52.9 m 37.76 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -164.12 144.16 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.1 -165.79 36.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.1 p30 -42.03 156.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.786 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.4 mt -107.7 158.23 33.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -74.99 169.55 22.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.1 Cg_endo -75.06 159.47 97.91 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.967 0.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -140.42 85.37 2.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.869 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -61.64 143.46 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 12.0 m-85 -151.36 116.76 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' ND2' HD11 ' A' ' 10' ' ' ILE . 21.0 t-20 -85.86 88.29 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.355 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 52.68 63.09 5.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.8 m-20 84.4 -43.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -53.07 124.61 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.5 t80 -74.81 115.03 13.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 96.1 m -86.37 -67.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 108.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.4 158.78 9.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -72.38 -175.93 1.72 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 0.782 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 39.2 t80 -52.29 -38.88 59.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -51.91 -51.28 58.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.4 m -58.29 -55.31 36.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 72.9 t80 -46.13 -59.15 3.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -53.95 -53.76 48.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -51.14 18.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 m -71.37 -21.89 61.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -67.36 -49.65 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -102.11 -16.97 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 95' ' ' SER . 3.4 t-20 75.8 49.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 98' ' ' VAL . 2.3 p -120.96 3.94 10.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -37.17 -54.29 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 13.4 m-85 -48.59 -50.56 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.7 t -70.34 -44.19 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.9 OUTLIER -47.66 -37.61 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.869 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -85.34 -27.34 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.74 44.21 1.15 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 99' ' ' PHE . 12.9 mt -113.47 56.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.781 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -172.8 75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.71 81.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.47 168.99 12.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 145.96 31.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.52 1.8 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.0 p -173.1 132.07 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.8 p -121.63 149.57 42.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m 61.13 108.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.28 94.64 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.23 -96.82 0.11 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -117.25 138.3 51.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.17 147.2 12.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.58 157.51 21.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtm -92.8 121.89 34.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.471 0.747 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -89.3 112.31 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 28.1 mm -74.81 77.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 mtm180 -57.02 106.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 76' ' ' ILE . 42.6 t -103.75 109.98 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.8 m-30 -76.93 132.1 38.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.433 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -138.38 145.87 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.31 75.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' SER . 0.9 OUTLIER -58.0 85.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER 164.54 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -39.91 125.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.575 ' C ' ' CD1' ' A' ' 20' ' ' PHE . . . -73.76 61.13 2.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 19' ' ' GLY . 61.2 m-85 -155.92 87.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -45.67 -38.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.9 19.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 73' ' ' PRO . 60.7 mt -54.54 -56.38 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -42.89 -63.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -40.63 -57.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.8 mttt -56.23 -46.81 79.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' O ' HG12 ' A' ' 31' ' ' VAL . 26.2 mt-30 -55.66 -33.48 64.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.3 mm100 -75.98 -61.34 1.97 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 10.5 t0 -39.61 -30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 26' ' ' LYS . 75.1 t -68.03 -89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.888 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -53.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 6.3 mmt180 -36.94 -64.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -49.44 -41.67 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.4 mt -66.57 -52.22 47.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 58.8 mm-40 -56.98 -51.26 69.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.34 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 32.2 m-80 -104.81 13.21 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER 39.8 53.81 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.798 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 78.9 mt -97.86 154.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -75.11 132.35 41.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.336 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.888 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 7.7 p90 -179.96 178.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -156.64 144.3 19.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.56 84.75 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 t -67.45 84.38 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -58.62 92.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.929 HD12 ' HG3' ' A' ' 53' ' ' ARG . 25.9 pt -65.14 -35.21 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.446 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -55.92 -41.11 74.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -68.42 -56.39 8.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 m -101.24 118.51 37.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.48 -54.54 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -39.76 -60.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -38.66 -53.12 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.929 ' HG3' HD12 ' A' ' 46' ' ' ILE . 47.7 ttt180 -60.62 -56.71 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.04 -55.4 6.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 78.8 t90 -49.39 -50.28 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.5 ttp -51.73 -46.04 63.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.2 m-30 -66.36 -7.5 19.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -106.87 -5.75 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.83 38.02 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.5 t -151.24 115.29 3.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 171.77 17.67 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.95 -29.76 7.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -67.99 -22.14 65.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtt -101.15 -29.84 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 21.9 mttt -40.08 120.38 1.52 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.473 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo -74.98 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -44.34 156.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 65.52 -174.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.13 -100.65 0.14 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -41.14 158.21 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.579 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -75.02 146.13 32.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.0 mt -129.16 158.49 72.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.546 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.95 169.39 22.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 158.55 98.93 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.98 -2.508 . . . . 0.0 110.982 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -140.55 87.89 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.995 HG21 HD23 ' A' ' 102' ' ' LEU . 3.2 mp -62.6 139.37 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 10.7 m-85 -150.35 112.75 4.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.562 ' ND2' HD11 ' A' ' 10' ' ' ILE . 9.2 t-20 -80.16 85.29 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 48.5 69.55 0.95 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 4.4 t70 85.98 -44.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 0.791 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.79 128.3 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 2.1 t80 -81.52 105.56 12.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 76' ' ' ILE . 74.3 m -76.08 -68.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 156.75 160.91 10.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -75.25 175.34 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 14.0 t80 -44.0 -40.66 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -52.91 30.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.469 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 58.6 m -57.59 -52.36 65.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 68.9 t80 -48.19 -59.94 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 93' ' ' LYS . 33.6 t80 -53.37 -56.9 12.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -41.8 15.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.342 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' ASN . 1.4 m -76.47 -26.08 55.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' PHE . 1.2 ttpp -60.63 -55.35 34.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.83 -24.6 9.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.279 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -94.87 -20.89 19.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.9 t30 75.3 36.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.9 p -113.33 6.48 17.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' LEU . 2.8 t -37.29 -49.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 28.6 m-85 -53.58 -51.38 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' THR . 2.0 m -69.53 -38.14 77.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -53.34 -39.08 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.995 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.07 -26.76 28.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.79 40.34 1.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 10' ' ' ILE . 10.7 mt -109.37 59.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.62 149.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.0 t 66.12 153.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.44 -163.36 19.85 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.4 Cg_endo -74.97 75.89 3.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 1.6 m 165.5 104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.08 83.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.5 117.67 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.996 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p -138.9 124.5 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.65 96.41 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.71 162.06 26.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.982 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -136.64 108.72 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.34 125.73 8.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.777 ' O ' HG23 ' A' ' 9' ' ' VAL . 48.1 mtp -84.06 164.46 19.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 8' ' ' MET . 5.6 t -162.31 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 HG21 HD22 ' A' ' 102' ' ' LEU . 32.2 mm -65.39 75.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' VAL . 94.6 mtt180 -55.06 108.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ILE . 78.6 t -103.76 122.7 56.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 46' ' ' ILE . 4.7 m-30 -85.31 134.2 34.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.879 HG22 ' CD ' ' A' ' 27' ' ' GLN . 1.1 pp -136.52 141.48 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 16' ' ' SER . . . -119.09 74.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 15' ' ' ALA . 22.0 t -38.3 -44.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.41 ' HB2' HG21 ' A' ' 47' ' ' THR . 0.5 OUTLIER -81.59 64.33 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.4 p -130.91 120.59 23.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.92 -53.73 8.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 100.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.07 -33.46 61.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.73 -44.28 27.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.8 mt -46.07 -56.92 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -43.94 -61.97 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.76 -49.56 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 62.5 mttt -55.51 -54.22 46.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.879 ' CD ' HG22 ' A' ' 14' ' ' ILE . 3.9 mt-30 -51.57 -40.08 59.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASP . 60.1 mt-30 -60.62 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.0 t0 -39.02 -35.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 72.4 t -71.19 -81.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 34' ' ' LEU . 2.6 m -41.29 -49.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.478 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 9.9 mmt-85 -45.02 -56.48 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -50.9 -40.67 57.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.3 mt -69.43 -43.42 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 5.6 mm-40 -60.84 -47.79 84.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.14 -26.26 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.3 m-80 -103.63 12.55 34.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' LEU . 8.1 mmmt 39.65 44.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 59.8 mt -86.72 150.46 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.1 mt-10 -71.37 128.6 36.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 34' ' ' LEU . 3.4 p90 -178.17 173.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -154.37 154.82 33.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -99.55 88.2 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 74.8 t -71.75 95.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -63.99 85.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' HG3' ' A' ' 53' ' ' ARG . 47.5 pt -59.22 -28.51 39.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -63.78 -46.6 84.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.4 mmt -64.66 -51.47 62.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 56.5 m -102.53 103.93 14.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -51.5 -50.04 60.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -43.89 -60.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -40.14 -51.92 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.737 ' HG3' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -61.32 -56.24 22.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -45.88 -46.4 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.599 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 91.4 t90 -51.79 -58.56 6.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 107.984 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.429 ' SD ' HG21 ' A' ' 60' ' ' VAL . 5.5 tmm? -44.66 -54.61 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -52.69 -19.08 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' TRP . 6.9 mttt -97.79 -21.39 16.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.659 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.72 44.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 71' ' ' PRO . 59.8 t -155.29 116.37 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.42 18.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.48 8.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -67.6 -33.06 74.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' LYS . 16.9 mmtm -82.93 -33.33 26.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 11.4 mttt -39.16 133.79 1.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.96 -53.15 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -168.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -109.44 47.03 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.59 82.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.575 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.5 m-80 68.69 148.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.683 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 148.78 35.98 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.4 mt -125.11 157.93 65.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.04 168.68 24.28 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 163.93 89.57 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.023 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.494 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 24.2 mm-40 -141.3 73.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.966 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -50.91 143.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 19.0 m-85 -147.69 111.84 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 25.1 t-20 -81.68 80.75 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 56.42 62.69 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 5.0 t70 86.21 -43.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.7 113.32 1.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.7 t80 -64.26 113.68 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 76' ' ' ILE . 85.7 m -78.02 -70.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 108.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.27 154.88 7.62 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -65.69 176.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 15.4 t80 -46.81 -44.76 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -48.34 -55.43 10.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m -50.19 -61.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 30' ' ' VAL . 84.0 t80 -44.61 -55.7 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -56.42 -45.82 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.39 -13.54 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASN . 58.0 m -99.55 -25.2 14.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -66.41 -41.46 89.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -53.14 -39.54 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.68 -11.15 23.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.0 OUTLIER 70.39 43.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.1 p -105.49 4.03 30.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.45 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 97' ' ' THR . 1.5 t -37.38 -45.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 38.6 m-85 -57.77 -53.26 60.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.7 t -67.82 -38.78 83.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.6 t80 -54.15 -32.2 54.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.966 ' CD2' HG21 ' A' ' 76' ' ' ILE . 3.7 mt -92.03 -26.75 18.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.53 3.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 99' ' ' PHE . 17.9 mt -96.96 61.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.18 139.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 m 57.85 100.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 165.59 -170.76 40.58 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.112 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.8 t -67.76 116.33 8.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.6 p -101.0 80.46 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.7 t -96.19 -60.44 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.63 159.63 16.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.06 102.31 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 82.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.41 127.26 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.34 150.5 19.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.1 mtm -96.7 119.86 35.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.773 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 t -84.74 110.59 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 12' ' ' VAL . 23.0 mm -75.19 75.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -55.33 104.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.5 t -99.39 117.71 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 4.3 m-30 -81.08 130.92 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -136.58 143.88 34.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -116.76 90.64 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 17' ' ' SER . 27.2 p -69.0 64.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 159.8 69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -123.81 -52.87 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.63 -53.38 0.68 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -59.17 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.09 -34.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.11 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.977 HG22 ' OE1' ' A' ' 27' ' ' GLN . 80.1 mt -60.95 -44.84 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -58.4 7.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -54.94 6.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.0 mttt -48.1 -54.27 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.977 ' OE1' HG22 ' A' ' 23' ' ' ILE . 10.7 mt-30 -47.48 -37.32 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' VAL . 15.6 mt-30 -70.98 -64.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.1 -31.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.2 t -68.46 -88.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.922 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.15 -53.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' VAL . 13.9 mmt-85 -38.27 -61.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' A' ' 98' ' ' VAL . 25.0 t80 -51.97 -40.74 61.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 31' ' ' VAL . 8.4 mt -66.97 -55.03 16.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 59.5 mm-40 -52.76 -53.6 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.47 47.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.482 ' O ' ' C ' ' A' ' 38' ' ' LYS . 36.3 m-80 -108.02 20.85 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER 34.25 50.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 99' ' ' PHE . 36.8 mt -92.17 152.53 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 132.2 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.922 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 9.9 p90 -179.27 177.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -156.09 149.05 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -94.39 88.65 5.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 97.4 t -73.24 89.63 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -58.91 98.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.57 HD12 ' HG3' ' A' ' 53' ' ' ARG . 42.5 pt -74.08 -26.77 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -48.57 81.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.79 -42.51 27.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 m -95.79 87.06 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.62 -52.83 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -43.66 -51.39 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -54.67 -43.72 72.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.246 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.57 ' HG3' HD12 ' A' ' 46' ' ' ILE . 33.7 ttp180 -61.68 -64.06 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -42.99 -47.52 5.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -50.06 -55.16 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -49.13 -52.54 25.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 3.3 m-85 -55.31 -16.35 3.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -95.29 -15.18 23.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.635 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -116.98 42.45 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' HB3' ' A' ' 71' ' ' PRO . 73.0 t -151.36 117.05 3.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.33 22.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.11 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.85 -18.76 62.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' LYS . 13.0 mmtt -99.47 -32.5 11.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.2 mttt -40.35 119.13 1.51 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.5 Cg_endo -74.97 -161.65 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 68' ' ' GLN . 49.0 m 41.21 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 67' ' ' THR . 25.4 pt20 -151.74 -50.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . -132.6 151.86 20.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 69' ' ' GLY . 0.6 OUTLIER 62.08 133.73 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.767 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.99 137.75 22.16 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.3 mt -123.87 158.36 60.21 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.02 168.98 23.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.04 163.69 90.12 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.923 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 21.2 mm-40 -141.12 77.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 ' CD2' ' A' ' 102' ' ' LEU . 3.0 mp -54.43 139.12 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 21.2 m-85 -148.46 105.12 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -77.48 93.99 4.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.23 -89.71 0.8 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.8 p30 -140.19 15.39 2.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.63 123.79 49.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 3.0 t80 -63.83 110.67 2.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 55.8 m -79.04 -74.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.72 152.09 6.64 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -67.92 176.98 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 37.1 t80 -45.4 -44.11 11.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -43.71 -55.57 4.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.505 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 1.9 m -56.49 -58.71 6.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 87.8 t80 -40.99 -55.31 2.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.22 -43.61 97.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.21 -17.85 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -99.05 -43.56 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.056 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.3 mtmp? -45.36 -46.77 13.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -41.97 -46.64 4.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 96' ' ' ASN . 0.1 OUTLIER -93.87 -18.22 22.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 95' ' ' SER . 4.0 t-20 81.78 52.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.4 p -113.09 5.36 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' A' ' 33' ' ' PHE . 1.5 t -37.67 -56.05 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 39' ' ' ILE . 83.7 m-85 -46.24 -53.96 9.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -46.46 73.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.8 t80 -47.01 -33.65 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.87 ' CD2' HG21 ' A' ' 76' ' ' ILE . 1.1 mt -93.0 -25.78 17.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.49 41.41 2.75 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.68 55.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -164.08 157.88 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.7 m 60.98 88.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.029 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 146.27 -163.6 28.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 92.36 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.3 p -115.87 163.63 15.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.82 104.97 11.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -163.09 161.04 25.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.06 151.0 27.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.6 106.82 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.66 75.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 110.018 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -104.26 -72.61 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.94 134.92 7.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.0 mtm -96.83 127.96 43.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 2.7 t -92.1 111.93 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.579 HG21 HD22 ' A' ' 102' ' ' LEU . 30.8 mm -75.61 78.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -56.22 102.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 76' ' ' ILE . 41.2 t -98.44 104.05 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.2 m-85 -70.93 132.6 45.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pt -137.66 150.34 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.57 78.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.8 p -39.06 -31.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.434 ' HB2' HG21 ' A' ' 47' ' ' THR . 1.0 OUTLIER -114.41 86.92 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.9 t -122.45 -59.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.86 -22.09 9.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.605 ' HB2' HD12 ' A' ' 23' ' ' ILE . 5.8 m-85 -88.77 83.77 6.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.656 HG23 ' HE2' ' A' ' 24' ' ' LYS . 7.6 p -43.65 -39.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.24 -46.23 65.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.665 HG23 ' O ' ' A' ' 73' ' ' PRO . 56.2 mt -63.28 -47.99 89.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.656 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -51.92 -40.03 60.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -60.62 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 82.7 mttt -48.9 -52.87 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.59 ' O ' HG13 ' A' ' 31' ' ' VAL . 26.4 mt-30 -39.62 -35.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.3 mt-30 -72.46 -69.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' GLN . 20.0 t0 -36.53 -33.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' GLN . 56.5 t -62.97 -66.29 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.2 m -64.73 -47.34 89.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 8.4 mmm180 -38.31 -53.43 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 37' ' ' ASN . 22.0 t80 -57.9 -49.79 75.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 14.7 mt -59.91 -46.15 90.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 61.5 mm-40 -61.26 -47.49 85.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.33 -23.19 64.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 33' ' ' PHE . 34.1 m-80 -102.02 7.54 41.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER 46.05 42.05 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.73 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 67.8 mt -90.98 148.07 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -72.46 136.84 46.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 6.4 p90 -179.53 172.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 13.1 pt-20 -150.08 141.81 23.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -89.01 86.53 6.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 73.4 t -69.15 93.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 48.2 t0 -64.78 96.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 15' ' ' ALA . 4.2 pt -68.2 -34.3 65.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.6 OUTLIER -57.92 -44.96 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.426 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 14.7 mmt -72.68 -49.49 31.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.0 m -96.88 107.97 20.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -41.44 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -51.33 -67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -38.74 -58.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.74 -53.15 12.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -50.92 -57.69 7.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.597 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 36.4 t90 -49.26 -47.88 46.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.0 ttp -54.06 -41.79 68.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.7 m-30 -72.16 -3.06 21.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -106.35 -14.73 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -116.04 39.11 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.733 HG11 ' HB3' ' A' ' 71' ' ' PRO . 70.8 t -150.78 115.87 3.27 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 169.86 21.7 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.07 8.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.45 1.763 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -68.0 -22.38 65.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -97.87 -31.58 12.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -40.14 125.45 1.68 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.03 163.29 35.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.4 m 40.92 -95.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 66' ' ' PRO . 7.8 pt20 -166.36 142.06 4.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . 92.18 -166.67 29.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 11.2 p30 -40.13 157.47 0.16 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.733 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.1 Cg_endo -75.05 145.64 31.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.8 mt -124.46 158.45 61.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.0 169.58 22.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.98 159.11 98.49 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.012 -0.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -140.52 92.4 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.956 HG21 HD23 ' A' ' 102' ' ' LEU . 3.0 mp -63.61 142.3 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 9.1 m-85 -155.23 104.31 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' ARG . 33.2 t-20 -79.82 89.26 5.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' C ' ' N ' ' A' ' 81' ' ' ARG . . . 63.38 72.48 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HB3' ' CZ2' ' A' ' 55' ' ' TRP . 4.6 m-20 49.08 22.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 78' ' ' ASN . 1.6 ttt-85 -110.4 111.32 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.2 t80 -59.71 120.91 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -109.34 -59.55 1.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.311 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 161.62 158.72 9.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.4 -169.64 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 27.0 t80 -50.08 -42.51 50.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -50.63 -56.45 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -55.74 -53.25 58.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 69.4 t80 -45.92 -56.97 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -55.4 -54.32 45.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -46.29 -45.41 17.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -74.23 -28.39 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -59.9 -46.57 88.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -59.17 -29.09 67.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.518 ' O ' HG23 ' A' ' 97' ' ' THR . 16.0 t -100.57 6.09 44.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 49.87 55.97 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 95' ' ' SER . 11.9 p -125.83 3.71 7.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.567 HG13 HD11 ' A' ' 102' ' ' LEU . 2.4 t -36.02 -56.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.73 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 39.1 m-85 -48.31 -49.75 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -69.93 -41.54 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.0 OUTLIER -52.77 -36.72 58.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.956 HD23 HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -86.07 -29.48 23.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 106.56 42.57 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 HD11 ' A' ' 10' ' ' ILE . 16.2 mt -109.27 57.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.19 175.77 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.3 p 44.66 83.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 151.59 -151.24 23.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.0 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.18 100.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 t 62.58 138.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.36 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.045 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -172.86 81.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.11 -97.97 1.83 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.53 124.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -133.33 164.93 26.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.88 49.1 0.88 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' VAL . 50.7 mtm -127.44 160.95 29.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 8' ' ' MET . 3.2 t -151.73 109.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.766 HG21 HD22 ' A' ' 102' ' ' LEU . 33.1 mm -70.95 75.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -53.16 104.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -97.2 118.04 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 56' ' ' MET . 3.7 m-85 -80.38 133.93 35.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.539 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.1 pt -137.99 147.91 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.753 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . . . -131.71 82.09 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -39.65 -43.79 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.48 98.97 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 19' ' ' GLY . 85.3 p -129.7 -71.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' N ' ' OG ' ' A' ' 18' ' ' SER . . . 143.76 -28.84 2.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.53 ' HB2' HD12 ' A' ' 23' ' ' ILE . 12.7 m-85 -100.87 91.42 4.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.02 -32.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.27 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 27' ' ' GLN . 63.6 mt -60.27 -45.52 96.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -50.59 -59.01 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.96 -59.37 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 30' ' ' VAL . 61.7 mttt -48.82 -57.83 5.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.647 ' O ' HG12 ' A' ' 31' ' ' VAL . 24.2 mt-30 -44.97 -39.64 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ASP . 1.8 mt-30 -69.82 -67.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -37.39 -34.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 26' ' ' LYS . 71.9 t -63.26 -87.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.96 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -40.12 -51.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -39.3 -54.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -58.93 -37.88 77.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.1 mt -70.65 -45.98 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 52.3 mm-40 -61.5 -50.06 74.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.37 67.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 38' ' ' LYS . 44.3 m-80 -104.87 11.58 33.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' LEU . 4.8 mmtt 39.22 52.23 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.561 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 64.8 mt -94.59 155.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.14 128.03 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.96 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.9 p90 -178.5 176.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 44' ' ' VAL . 7.0 pt-20 -158.2 147.64 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.48 97.39 10.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' OE2' ' A' ' 42' ' ' GLU . 62.1 t -83.2 101.84 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.08 103.42 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.753 ' CG1' ' HB2' ' A' ' 15' ' ' ALA . 20.5 pt -83.33 -14.1 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.39 -46.61 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 mmt -74.79 -49.18 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.1 m -95.94 102.04 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -52.6 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.81 -60.57 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -39.45 -50.88 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' CE1' ' A' ' 57' ' ' TYR . 5.8 ttp180 -61.15 -57.19 13.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -44.78 -46.04 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 86.2 t90 -53.82 -57.21 11.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 107.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.514 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 12.5 tmm? -48.7 -50.68 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.3 -16.83 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -99.92 -15.32 18.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.682 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.0 OUTLIER -111.52 36.07 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 75.3 t -156.02 115.54 2.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.62 8.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -67.01 -30.67 70.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' LYS . 15.6 mmtt -89.06 -30.42 18.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 19.6 mttt -39.04 125.04 1.26 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 173.13 15.02 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 66' ' ' PRO . 54.5 m 35.91 -96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' PRO . 5.9 pt20 -166.08 139.29 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . 91.86 -165.05 29.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.568 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 11.1 m-20 -40.37 157.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.97 133.82 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.568 1.825 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.23 158.59 36.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.2 Cg_endo -75.0 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -75.02 158.52 98.93 Favored 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.004 0.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -138.45 83.08 1.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.826 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -62.16 147.82 11.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -154.34 112.67 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -78.08 81.45 4.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 -89.63 1.46 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -136.23 14.65 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.02 120.56 42.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 6.7 t80 -54.09 114.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.714 ' SG ' HD23 ' A' ' 102' ' ' LEU . 52.7 t -81.53 -77.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 165.8 147.47 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -63.76 -176.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 18.2 t80 -53.58 -44.07 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -43.22 -55.79 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 91' ' ' GLU . 58.1 m -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.049 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.693 ' CD2' HG22 ' A' ' 30' ' ' VAL . 2.5 t80 -38.38 -44.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.09 -39.74 60.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.7 tt0 -61.11 -13.85 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 96' ' ' ASN . 0.4 OUTLIER -100.37 -45.04 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 89' ' ' PHE . 5.8 mtmp? -46.23 -39.17 9.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.96 -40.81 81.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.73 11.06 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 92' ' ' SER . 22.4 m-20 50.35 57.42 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.353 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' VAL . 20.2 p -120.69 1.96 10.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' CG ' ' A' ' 93' ' ' LYS . 2.7 t -38.07 -45.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 82.0 m-85 -57.12 -54.4 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 t -67.2 -33.22 74.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' SG ' ' A' ' 83' ' ' CYS . 1.6 t80 -59.02 -36.08 74.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.826 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -92.32 3.58 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.55 37.24 35.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 99' ' ' PHE . 14.9 mt -103.1 138.11 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.365 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 105' ' ' LYS . 5.8 ttmt 67.11 75.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.59 166.51 2.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 57.03 -161.14 8.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -40.66 0.85 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.3 p 55.96 170.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.64 -58.12 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.9 m -83.68 139.14 32.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.4 p -163.29 124.24 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.96 144.54 0.61 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.19 164.41 12.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m 58.45 103.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.63 -160.33 29.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.5 mtm -97.06 155.78 16.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 111.049 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -151.38 119.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 102' ' ' LEU . 41.9 mm -80.52 84.22 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 42' ' ' GLU . 78.7 mtp85 -63.1 100.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 10' ' ' ILE . 75.3 t -96.43 108.27 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -73.89 130.44 39.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 1.1 pp -137.93 148.31 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.584 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -117.68 88.03 2.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -67.02 69.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' ALA . 8.3 t -178.81 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.0 p -43.95 110.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' PHE . . . -44.05 -51.99 7.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HB2' HD12 ' A' ' 23' ' ' ILE . 94.6 m-85 -37.54 101.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.56 -44.23 96.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -47.19 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.677 HD12 ' HB2' ' A' ' 20' ' ' PHE . 73.7 mt -53.82 -53.25 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.85 -58.85 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.93 -54.92 5.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 86' ' ' TYR . 82.0 mttt -58.71 -43.24 90.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 14' ' ' ILE . 24.2 mt-30 -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 29' ' ' ASP . 2.4 mm100 -83.83 -56.44 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 28' ' ' GLN . 22.8 t0 -39.12 -32.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 26' ' ' LYS . 69.2 t -66.64 -88.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -37.64 -55.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.5 mmt180 -37.13 -61.54 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -51.9 -40.37 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.79 HD22 HG21 ' A' ' 39' ' ' ILE . 13.4 mt -68.64 -57.08 6.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -50.92 -51.6 50.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.19 -21.84 49.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . 11.8 m-80 -111.09 25.94 11.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER 33.78 39.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.79 HG21 HD22 ' A' ' 34' ' ' LEU . 14.4 mt -82.95 147.35 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 3.0 pt-20 -81.79 134.77 35.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.741 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 26.8 p90 -176.27 177.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.452 ' OE1' ' NH1' ' A' ' 11' ' ' ARG . 7.8 pt-20 -148.99 144.8 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.55 89.35 5.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.6 83.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' OD2' ' CG ' ' A' ' 48' ' ' MET . 44.9 t0 -56.73 99.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.584 HD11 ' HB2' ' A' ' 15' ' ' ALA . 8.4 pt -71.72 -24.3 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.72 -44.29 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.443 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 20.5 mmt -68.53 -44.64 74.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.7 m -109.88 114.49 28.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -60.58 -55.2 36.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLN . 2.6 tt0 -40.92 -61.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' GLU . 89.3 mm-40 -37.63 -54.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG3' HD12 ' A' ' 46' ' ' ILE . 9.6 ttp180 -56.2 -52.01 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -51.89 -56.58 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.594 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 48.5 t90 -48.81 -50.87 32.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 107.972 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.7 ttp -48.83 -47.57 42.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 6.0 m-30 -66.43 -9.02 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -100.38 -7.63 24.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.594 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.2 m-80 -123.66 35.05 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 71' ' ' PRO . 71.9 t -149.06 116.01 3.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -75.04 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -28.71 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -69.99 -23.87 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 13.8 mmtt -93.38 -32.21 14.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 18.4 mttt -39.46 134.97 1.19 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -75.02 -89.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.5 p -56.36 -92.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -171.39 164.71 7.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.57 -89.12 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 3.9 m120 -110.27 154.67 42.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.684 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.96 147.07 33.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.7 mt -124.52 158.0 63.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.576 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.95 169.01 23.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -74.98 157.76 99.42 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.95 -0.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' OE1' HG21 ' A' ' 60' ' ' VAL . 11.0 mm-40 -139.94 85.09 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.845 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.8 mp -61.38 138.49 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 9.8 m-85 -147.69 109.73 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -80.63 89.37 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.54 -90.62 1.04 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -136.14 12.22 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.38 117.12 33.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 6.1 t80 -59.93 116.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.8 m -81.19 -75.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.6 152.61 7.78 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -71.84 178.46 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.797 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 28.1 t80 -47.16 -33.93 5.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -55.36 -48.8 73.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 6.0 m -67.36 -61.67 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 2.4 t80 -37.88 -47.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -64.05 -50.63 67.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -17.45 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' ASN . 28.3 m -97.43 -22.68 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -66.52 -61.46 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -59.59 -15.95 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.54 -9.59 20.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 92' ' ' SER . 9.3 m120 59.38 41.13 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 1.8 p -116.29 -2.63 12.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.713 ' CG1' HD11 ' A' ' 102' ' ' LEU . 22.0 t -37.01 -55.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 48.7 m-85 -46.82 -53.76 11.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 t -67.28 -44.3 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 3.7 t80 -51.64 -38.0 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.845 ' CD2' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -83.91 -26.71 29.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.14 46.07 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 99' ' ' PHE . 15.1 mt -114.27 57.48 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.82 -60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.58 89.99 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 162.22 -174.43 38.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 100.83 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.6 p -168.24 157.06 9.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 m -167.01 136.31 2.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.03 128.26 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.12 132.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.93 -163.37 34.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.44 155.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.08 -86.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.9 132.34 6.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.741 ' O ' HG23 ' A' ' 9' ' ' VAL . 45.8 mtp -70.94 158.9 35.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 8' ' ' MET . 3.7 t -161.57 101.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.604 HG21 HD22 ' A' ' 102' ' ' LEU . 33.8 mm -65.39 75.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HB3' HG21 ' A' ' 44' ' ' VAL . 98.7 mtt180 -55.24 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.7 t -88.02 126.79 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 5.3 m-30 -88.76 132.53 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.45 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.3 pp -133.33 150.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -122.97 80.52 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 44.1 p -38.97 -38.28 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -100.05 96.91 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.8 m -156.85 120.3 4.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 109.983 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.587 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -71.93 59.87 1.36 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.835 ' HB2' HD12 ' A' ' 23' ' ' ILE . 96.2 m-85 -163.58 83.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.04 -36.42 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -38.2 54.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.835 HD12 ' HB2' ' A' ' 20' ' ' PHE . 93.9 mt -64.42 -43.21 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -54.0 -64.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -46.65 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 30' ' ' VAL . 51.2 mttt -60.56 -51.3 70.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.682 ' OE1' HG22 ' A' ' 23' ' ' ILE . 21.5 mt-30 -55.23 -38.7 68.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -69.01 -61.5 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.8 OUTLIER -40.02 -33.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 26' ' ' LYS . 68.0 t -66.66 -87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.2 -55.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.7 mmt180 -37.3 -55.71 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -58.21 -44.8 88.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 31' ' ' VAL . 10.5 mt -64.12 -46.56 83.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 17.4 mm-40 -60.71 -50.4 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -25.48 65.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' LYS . 42.5 m-80 -106.43 11.87 30.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' LEU . 17.8 mmmt 39.7 49.84 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' A' ' 99' ' ' PHE . 69.4 mt -91.4 154.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 8' ' ' MET . 4.0 mt-10 -72.76 127.34 32.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.805 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 3.8 p90 -178.82 177.16 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' OE2' HG22 ' A' ' 44' ' ' VAL . 9.2 pt-20 -159.67 141.23 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -85.21 85.54 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 40.2 t -70.75 97.24 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 49' ' ' SER . 54.3 t0 -62.98 95.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 13' ' ' PHE . 5.9 pt -70.1 -28.82 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -49.62 68.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.455 ' CG ' ' OD2' ' A' ' 45' ' ' ASP . 16.9 mmt -81.93 -44.91 16.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 69.6 m -55.86 -40.93 73.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 68.99 -62.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -58.91 -39.93 83.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 23.7 mm-40 -62.9 -34.8 78.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -63.98 -68.77 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -41.1 -45.83 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 79.4 t90 -53.08 -52.72 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -48.92 -51.32 30.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -56.93 -15.09 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -99.97 -7.43 25.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -121.1 37.09 4.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.449 HG23 ' C ' ' A' ' 59' ' ' ASN . 92.6 t -154.1 114.59 2.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.91 15.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 -31.13 6.39 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.83 -23.22 66.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.24 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -100.08 -24.92 14.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 62' ' ' PRO . 16.8 mttt -44.74 121.07 4.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -74.99 -162.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.2 m -40.4 147.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 65.26 -173.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' ASN . . . -78.33 -93.02 0.29 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.3 p30 -39.54 147.08 0.33 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.74 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 18.5 Cg_endo -74.93 137.75 22.29 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.077 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.5 mt -117.8 159.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.3 Cg_endo -75.0 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.94 160.52 96.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.989 -0.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.61 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 38.7 mm-40 -137.02 69.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.858 HG21 ' CD2' ' A' ' 102' ' ' LEU . 2.7 mp -44.94 137.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.61 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 20.3 m-85 -147.24 107.24 4.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -80.11 92.17 5.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 53.03 51.7 44.5 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 3.1 m-20 86.27 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -56.34 113.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.92 116.54 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.428 ' HB2' HG22 ' A' ' 76' ' ' ILE . 53.9 m -90.15 -75.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 108.327 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.18 151.62 6.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -65.25 175.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 26' ' ' LYS . 19.5 t80 -45.04 -48.54 11.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.97 -51.57 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -55.04 -60.1 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 78.7 t80 -45.65 -58.94 3.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -52.79 -53.53 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -42.64 61.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -19.87 58.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 1.8 ttpp -67.92 -49.15 63.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -57.45 -27.47 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -101.14 8.76 42.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 45.48 57.49 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 95' ' ' SER . 1.3 p -127.84 3.63 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 97' ' ' THR . 2.7 t -38.03 -49.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 39' ' ' ILE . 47.6 m-85 -52.78 -54.12 38.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -38.89 87.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.3 t80 -54.76 -36.84 65.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.858 ' CD2' HG21 ' A' ' 76' ' ' ILE . 2.6 mt -84.72 -17.62 37.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.87 16.2 22.24 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 99' ' ' PHE . 20.0 mt -83.94 137.74 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.4 tttt 58.35 96.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 16.5 t 176.41 79.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.62 -152.11 18.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 64.32 6.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.441 1.758 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.5 m -147.72 142.08 26.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.1 t 56.08 166.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -126.62 110.71 13.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m 59.1 90.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.75 -167.67 1.56 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.579 1.174 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 p -89.82 131.94 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -136.96 89.44 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.52 149.97 51.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 mtp -99.59 119.34 37.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 t -81.36 109.17 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.733 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -76.89 79.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 77' ' ' PHE . 99.3 mtt180 -57.52 108.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 10' ' ' ILE . 84.8 t -105.98 121.3 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.65 ' CD2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-85 -81.68 136.21 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pp -139.89 150.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 86.73 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -39.25 -33.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -111.09 110.61 21.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.471 ' CB ' ' HE2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -162.18 111.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.22 -54.78 1.57 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HB2' HD12 ' A' ' 23' ' ' ILE . 49.2 m-85 -61.83 125.57 24.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -87.79 -43.13 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.7 -36.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.97 HG22 ' OE1' ' A' ' 27' ' ' GLN . 96.0 mt -64.14 -53.83 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -42.88 -62.4 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' LYS . 1.3 mptp? -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 71.3 mttt -42.17 -57.11 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.97 ' OE1' HG22 ' A' ' 23' ' ' ILE . 13.6 mt-30 -45.82 -40.83 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.9 mt-30 -68.36 -67.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -38.79 -30.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 26' ' ' LYS . 44.5 t -70.26 -73.25 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 27' ' ' GLN . 2.3 m -54.9 -50.34 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.4 mmt180 -39.84 -54.74 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD1' HG11 ' A' ' 98' ' ' VAL . 39.3 t80 -56.73 -50.14 73.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' LYS . 19.0 mt -57.65 -47.89 81.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -59.85 -49.71 76.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -22.93 66.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -103.31 9.2 38.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 43.59 43.19 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 99' ' ' PHE . 68.0 mt -90.76 148.9 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 132.55 44.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CB ' HD13 ' A' ' 34' ' ' LEU . 4.3 p90 -179.79 174.72 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.18 150.31 28.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.9 88.62 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.508 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 92.4 t -68.44 83.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -54.23 104.25 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 13' ' ' PHE . 9.4 pt -85.36 -21.57 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -63.19 -49.34 74.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.8 mmt -78.65 -53.79 6.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.2 m -83.58 91.91 7.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.62 -51.72 62.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -39.46 -61.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -43.86 -53.85 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -49.87 -64.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 71.2 mm-40 -44.01 -52.76 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.603 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 90.6 t90 -47.81 -54.87 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.9 ttp -46.61 -54.53 9.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.3 m-85 -54.83 -17.19 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -99.15 -16.39 18.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.603 ' OD1' ' CZ2' ' A' ' 55' ' ' TRP . 1.4 m-80 -114.12 45.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 71' ' ' PRO . 56.2 t -156.21 115.96 2.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.89 8.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -69.47 -21.81 63.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -96.84 -32.4 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 66' ' ' PRO . 24.8 mttt -41.81 130.34 2.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 Cg_endo -74.97 -86.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -103.04 96.17 6.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.21 -115.54 0.93 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 24.7 p30 -86.36 157.47 56.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.643 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 147.88 34.63 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 74.7 mt -129.4 158.87 71.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' CB ' ' HA ' ' A' ' 74' ' ' PRO . 18.4 Cg_endo -75.03 169.93 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.56 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.96 158.57 98.91 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.029 -0.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -140.28 88.7 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG23 HG23 ' A' ' 10' ' ' ILE . 2.2 mp -63.32 149.96 9.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 82' ' ' TYR . 14.6 m-85 -158.27 120.51 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.54 ' ND2' ' CD1' ' A' ' 10' ' ' ILE . 1.8 m120 -88.46 104.51 16.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 40.72 60.53 2.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 2.9 t70 85.66 -43.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 137.71 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CD1' ' CE1' ' A' ' 77' ' ' PHE . 5.9 t80 -88.95 133.3 34.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.95 -72.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 175.15 165.15 30.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -87.84 -166.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 26' ' ' LYS . 55.9 t80 -49.91 -51.76 38.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -39.32 -64.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 2.1 m -50.6 -59.66 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 92.7 t80 -46.47 -58.13 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CD2' ' OH ' ' A' ' 86' ' ' TYR . 26.1 t80 -56.79 -43.99 81.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.2 -14.04 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ASN . 15.6 m -98.6 -46.45 5.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 5.5 mtmp? -45.71 -38.57 7.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.6 -40.95 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . 28.3 t -101.97 7.66 41.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 92' ' ' SER . 3.2 t-20 54.36 46.8 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 17.5 p -106.57 1.26 25.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.679 HG13 HD11 ' A' ' 102' ' ' LEU . 2.1 t -34.95 -55.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 39' ' ' ILE . 96.2 m-85 -51.08 -52.64 41.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 97' ' ' THR . 6.0 m -65.9 -38.84 89.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 1.5 t80 -57.62 -31.15 65.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.733 HD22 HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -99.99 18.06 19.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 59.62 23.29 58.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.578 HD12 HD12 ' A' ' 102' ' ' LEU . 14.8 mt -87.83 140.8 29.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER 50.8 179.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 t 54.99 88.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.18 -156.28 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -52.79 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.548 1.815 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.6 m -74.02 124.84 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.5 t -109.22 84.96 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.962 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -144.15 -58.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.87 97.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.76 120.4 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 p -103.5 134.0 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 176.09 152.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.22 -179.17 21.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.797 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.8 mtm -104.56 163.99 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 8' ' ' MET . 3.2 t -163.47 101.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 102' ' ' LEU . 37.7 mm -66.25 77.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' VAL . 96.3 mtt180 -55.0 98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 10' ' ' ILE . 99.2 t -95.85 114.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.4 m-30 -81.03 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.849 HG22 ' HG2' ' A' ' 27' ' ' GLN . 1.2 pp -136.72 149.79 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 17' ' ' SER . . . -117.66 90.95 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -67.82 68.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.432 ' HB2' HG21 ' A' ' 47' ' ' THR . 3.4 t -176.44 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.954 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -39.01 106.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -47.44 -27.38 4.13 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.577 ' HB2' HD12 ' A' ' 23' ' ' ILE . 3.5 m-85 -62.38 81.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' HE2' ' A' ' 24' ' ' LYS . 8.4 p -44.63 -38.94 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.79 65.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.885 HG22 ' OE1' ' A' ' 27' ' ' GLN . 90.2 mt -58.88 -37.38 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HE2' HG23 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -72.47 -31.57 65.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -69.93 -46.1 66.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 86' ' ' TYR . 42.2 mttt -60.08 -48.09 83.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.885 ' OE1' HG22 ' A' ' 23' ' ' ILE . 7.7 mt-30 -44.23 -35.36 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 57.4 mt-30 -70.27 -66.42 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -38.85 -30.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.7 t -69.67 -73.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.655 ' HA ' HD12 ' A' ' 34' ' ' LEU . 1.9 m -56.37 -50.0 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 17.1 mmt180 -37.86 -52.1 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -59.97 -44.81 94.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 31' ' ' VAL . 9.0 mt -64.28 -47.68 78.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 32.9 mm-40 -60.17 -49.5 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.25 -24.78 68.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' LYS . 38.6 m-80 -106.2 12.89 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 39.5 50.82 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.54 HD11 ' CE1' ' A' ' 99' ' ' PHE . 77.8 mt -94.53 151.35 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 8' ' ' MET . 5.3 mt-10 -71.86 130.35 40.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE2' ' HG2' ' A' ' 35' ' ' GLU . 4.1 p90 -178.59 173.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -153.31 143.71 22.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.158 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.52 86.8 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 90.9 t -70.07 85.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -56.09 92.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' ILE . 32.0 pt -67.26 -16.06 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.432 HG21 ' HB2' ' A' ' 17' ' ' SER . 0.8 OUTLIER -81.36 -30.65 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 mmt -99.95 -48.57 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.39 -41.11 96.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 2.8 tt0 66.55 -72.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.5 tm-20 -40.27 -46.13 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -62.12 -42.65 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLU . 3.1 ttt180 -49.45 -64.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-30 -45.21 -51.91 10.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.602 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 33.9 t90 -49.62 -47.21 49.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.5 ttp -54.42 -45.47 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 70' ' ' ASN . 3.2 m-85 -66.05 -8.94 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -103.07 -9.66 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.602 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 2.5 m-80 -121.29 43.66 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.736 HG11 ' HB3' ' A' ' 71' ' ' PRO . 76.7 t -156.04 116.01 2.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.414 ' HG2' ' CG ' ' A' ' 64' ' ' LYS . 18.3 Cg_endo -74.94 168.61 24.46 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.08 9.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.21 -10.72 60.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 61' ' ' PRO . 10.2 mmmt -107.76 -30.74 8.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' LYS . 55.8 mttt -39.15 123.15 1.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.472 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.3 Cg_endo -75.01 164.54 33.13 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 66' ' ' PRO . 52.2 m 38.09 -102.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -177.71 124.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 70' ' ' ASN . . . 114.32 82.46 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' GLY . 91.1 m-20 58.77 157.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.736 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 125.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -111.54 158.43 36.39 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 169.7 22.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.98 160.47 96.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.02 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -140.72 83.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.984 HG21 HD23 ' A' ' 102' ' ' LEU . 3.1 mp -59.95 142.17 15.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 82' ' ' TYR . 13.2 m-85 -152.43 118.24 5.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 10' ' ' ILE . 14.9 t-20 -86.74 86.47 7.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.11 62.4 6.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER 84.23 -43.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.738 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -49.86 121.7 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.546 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . 1.5 t80 -72.16 111.47 7.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.77 -68.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 157.98 160.47 10.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 85' ' ' ASP . 43.5 p30 -79.72 178.64 8.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 21.5 t80 -42.01 -45.74 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.91 -54.64 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -56.19 -57.84 10.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' ' HD3' ' A' ' 93' ' ' LYS . 83.4 t80 -44.26 -56.67 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -56.28 -55.49 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -47.0 -48.53 21.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 -26.97 61.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.76 -47.75 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -59.17 -22.19 60.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' THR . 8.7 t -103.8 3.97 34.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 52.05 44.43 29.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 95' ' ' SER . 22.0 p -115.02 4.11 14.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' THR . 3.0 t -37.12 -50.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' HA ' HD12 ' A' ' 104' ' ' LEU . 62.0 m-85 -53.48 -50.32 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' THR . 19.9 m -70.29 -38.38 75.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 0.7 OUTLIER -53.41 -38.92 63.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.984 HD23 HG21 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -84.82 -23.66 29.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.2 43.86 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 99' ' ' PHE . 41.0 mt -101.76 -107.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.739 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.5 tttt 63.3 122.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.13 92.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 108' ' ' PRO . . . -151.91 134.13 4.45 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.512 1.132 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 107' ' ' GLY . 18.5 Cg_endo -74.9 -35.7 3.09 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.85 109.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.037 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.92 131.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.5 -59.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -136.57 109.26 7.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.42 -179.57 23.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 60.01 151.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 p -163.55 -60.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 134.61 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.506 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 14.8 mtm -99.2 122.0 41.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.37 114.14 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.669 HG21 HD22 ' A' ' 102' ' ' LEU . 32.0 mm -77.97 78.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HA ' ' CG ' ' A' ' 42' ' ' GLU . 93.7 mtt180 -56.5 98.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 10' ' ' ILE . 71.9 t -95.63 97.9 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' CZ ' HG11 ' A' ' 44' ' ' VAL . 3.2 m-85 -65.56 136.58 56.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' ILE . 1.1 pp -140.78 161.95 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' HB1' ' OG1' ' A' ' 47' ' ' THR . . . -132.45 87.0 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' SER . 3.6 t -37.31 -83.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -61.38 80.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' SER . 29.3 t -131.3 108.1 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.467 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.37 84.46 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 20.9 m-85 -154.79 -46.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 22' ' ' ALA . 0.5 OUTLIER 80.62 -53.14 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -58.14 -47.4 83.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' O ' ' A' ' 73' ' ' PRO . 91.8 mt -48.43 -48.88 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -46.9 -63.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -40.5 -58.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 30' ' ' VAL . 91.1 mttt -51.92 -55.32 20.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.555 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.2 mt-30 -47.6 -36.48 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 2.0 mt-30 -73.22 -66.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.5 t70 -36.41 -34.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.0 t -62.96 -88.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.939 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -39.83 -50.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' VAL . 14.3 mmt180 -37.45 -56.75 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -55.57 -46.04 77.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 31' ' ' VAL . 12.7 mt -59.16 -54.2 49.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HG2' ' CE2' ' A' ' 41' ' ' PHE . 8.6 mm-40 -56.68 -51.89 67.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.4 -24.36 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -102.59 10.19 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.86 49.35 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.544 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 81.6 mt -100.85 148.62 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 8' ' ' MET . 2.1 pt-20 -84.3 136.24 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.939 ' CZ ' HG23 ' A' ' 31' ' ' VAL . 46.1 p90 -170.65 -173.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 11' ' ' ARG . 6.8 pt-20 -155.97 143.75 19.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -93.75 84.92 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 13' ' ' PHE . 27.9 t -67.58 93.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 49' ' ' SER . 46.2 t0 -65.47 97.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' HB ' ' CB ' ' A' ' 53' ' ' ARG . 2.1 pt -67.84 -37.82 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.421 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -57.64 -49.27 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.429 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.71 -52.04 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m -54.25 -39.71 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 67.05 -68.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -46.25 -54.33 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -50.63 -46.13 58.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 47.3 ttt180 -50.6 -63.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -42.72 -54.51 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CH2' ' OD1' ' A' ' 59' ' ' ASN . 62.2 t90 -52.0 -51.93 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 45.2 ttp -49.71 -48.4 49.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 5.4 m-30 -62.3 -11.86 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -99.97 -7.32 25.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.531 ' OD1' ' CH2' ' A' ' 55' ' ' TRP . 1.7 m-80 -123.97 38.89 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.719 HG11 ' HB3' ' A' ' 71' ' ' PRO . 53.7 t -150.34 116.31 3.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.71 22.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -28.37 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.447 1.761 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.73 -19.3 62.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' LYS . 27.4 mmtt -98.52 -31.93 11.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LYS . 32.0 mttt -39.94 132.5 1.48 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.5 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.466 ' OG1' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -108.61 -166.69 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -96.44 135.97 37.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.73 -97.67 1.05 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -114.68 164.03 17.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.719 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -74.97 147.98 34.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 72.8 mt -126.11 158.66 65.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 169.17 23.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -74.95 158.78 98.78 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.024 -0.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -140.49 89.43 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.021 HG21 HD23 ' A' ' 102' ' ' LEU . 2.0 mp -63.2 140.55 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CE1' ' HA ' ' A' ' 82' ' ' TYR . 10.6 m-85 -154.1 112.44 3.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 26.6 t-20 -86.71 100.43 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.32 -93.16 0.51 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.99 14.92 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.25 120.27 41.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 4.3 t80 -61.13 121.49 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.573 ' HB2' HG22 ' A' ' 76' ' ' ILE . 85.1 m -94.25 -74.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.3 164.94 23.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -87.55 -173.43 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 26' ' ' LYS . 51.0 t80 -48.41 -35.69 13.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -54.69 -52.4 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.547 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -64.71 -62.76 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CZ ' ' CE ' ' A' ' 93' ' ' LYS . 3.1 t80 -37.55 -44.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -68.94 -45.81 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' SER . 1.5 mt-10 -62.46 -15.07 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ASN . 39.3 m -98.34 -25.2 14.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' CE ' ' CZ ' ' A' ' 89' ' ' PHE . 5.0 mtmp? -67.66 -58.01 5.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -53.56 -24.59 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.98 -19.29 18.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' SER . 7.5 t-20 71.96 48.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 98' ' ' VAL . 6.8 p -124.58 0.1 8.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 102' ' ' LEU . 6.5 t -34.93 -56.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.544 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 66.5 m-85 -48.24 -51.45 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' THR . 7.4 t -68.31 -40.68 81.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 88' ' ' SER . 2.6 t80 -55.76 -35.85 66.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 76' ' ' ILE . 0.4 OUTLIER -85.4 -22.47 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.02 37.15 4.22 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 106' ' ' SER . 91.4 mt -97.11 -107.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 66.92 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -38.86 109.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 56.67 161.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.86 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.6 m -39.38 105.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.64 -58.69 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.22 95.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -130.51 -55.97 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.22 -165.44 1.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -153.56 130.59 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.63 144.71 41.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.13 140.07 15.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 mtm -92.91 120.07 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 102' ' ' LEU . 27.6 mm -78.1 77.57 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -57.44 108.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 10' ' ' ILE . 77.9 t -106.3 123.68 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 44' ' ' VAL . 3.5 m-30 -85.03 130.73 34.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.62 148.81 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB2' HD11 ' A' ' 46' ' ' ILE . . . -118.28 85.09 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' ALA . 41.0 t -39.05 -30.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' ' C ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -86.71 -81.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.45 -162.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -154.8 31.14 0.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 10.2 m-85 -156.69 94.39 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.8 p -43.31 -28.08 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' A' ' 20' ' ' PHE . . . -62.83 -49.48 74.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.776 HG22 ' OE1' ' A' ' 27' ' ' GLN . 28.6 mt -57.87 -41.39 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -36.06 83.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -63.75 -46.38 85.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.103 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.3 mttt -61.39 -48.88 79.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.776 ' OE1' HG22 ' A' ' 23' ' ' ILE . 16.3 mt-30 -44.57 -34.27 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.7 mt-30 -69.91 -69.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 2.8 t0 -39.11 -30.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 26' ' ' LYS . 70.8 t -67.3 -65.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 27' ' ' GLN . 1.3 m -64.49 -49.5 80.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 31' ' ' VAL . 12.7 mmt180 -40.37 -53.25 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CE2' HG11 ' A' ' 98' ' ' VAL . 40.8 t80 -55.9 -50.0 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 41' ' ' PHE . 20.6 mt -58.07 -49.01 78.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.91 -49.18 78.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.57 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -101.96 10.04 40.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' LEU . 22.2 mmmt 43.49 40.82 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 99' ' ' PHE . 66.9 mt -87.89 149.52 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.45 134.11 43.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 34' ' ' LEU . 5.9 p90 -179.29 174.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' OE1' HG22 ' A' ' 44' ' ' VAL . 5.8 pt-20 -153.25 141.93 20.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.79 85.28 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' OE1' ' A' ' 42' ' ' GLU . 74.0 t -67.31 84.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -55.43 102.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 73' ' ' PRO . 6.0 pt -77.42 -33.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.56 85.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.0 mmt -76.51 -50.19 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -101.94 112.22 24.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.61 -49.26 75.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -43.08 -58.4 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -47.14 -47.57 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' MET . 3.1 ttt180 -55.54 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -39.52 -51.22 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CZ2' ' OD1' ' A' ' 59' ' ' ASN . 79.8 t90 -46.1 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ASN . 61.5 ttp -53.73 -54.06 43.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 70' ' ' ASN . 3.2 m-85 -53.11 -18.32 2.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -96.78 -19.85 18.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.612 ' N ' HD22 ' A' ' 59' ' ' ASN . 1.4 m-80 -108.62 39.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.773 HG11 ' HB3' ' A' ' 71' ' ' PRO . 80.8 t -155.95 115.63 2.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.55 22.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.89 8.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -69.59 -16.01 63.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -103.7 -29.87 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -39.92 119.96 1.44 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD2' ' HA ' ' A' ' 71' ' ' PRO . 18.1 Cg_endo -75.03 176.97 9.21 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 66' ' ' PRO . 35.7 m 36.85 -100.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -164.63 128.21 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.3 -161.27 19.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.9 p30 -42.6 156.43 0.24 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' HB3' HG11 ' A' ' 60' ' ' VAL . 18.4 Cg_endo -74.91 138.76 23.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -119.42 158.41 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 46' ' ' ILE . 18.3 Cg_endo -75.04 169.13 23.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 73' ' ' PRO . 18.3 Cg_endo -74.99 156.98 99.89 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.992 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.598 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 9.5 mm-40 -140.45 76.33 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.636 HG21 HD23 ' A' ' 102' ' ' LEU . 2.5 mp -51.96 150.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 34.3 m-85 -155.73 108.1 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 102' ' ' LEU . 30.8 t-20 -81.04 93.35 6.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 80' ' ' ASP . . . 54.49 56.36 22.38 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER 83.31 -35.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.477 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 3.6 ttt180 -51.5 127.07 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.07 86.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.632 ' CB ' HG22 ' A' ' 76' ' ' ILE . 50.9 t -57.45 -82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.312 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 167.16 160.21 14.04 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -75.08 -178.67 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.576 ' CD1' ' HB3' ' A' ' 26' ' ' LYS . 24.8 t80 -51.37 -43.16 61.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.84 -56.12 9.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -53.04 -59.42 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 93' ' ' LYS . 50.7 t80 -44.63 -55.93 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -56.42 -53.19 60.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -49.06 14.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' CB ' ' OG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -73.07 -29.37 62.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -58.56 -46.96 85.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.72 -28.14 68.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -2.6 37.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' SER . 1.3 t-20 60.16 53.29 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' CB ' ' A' ' 92' ' ' SER . 17.9 p -124.3 4.36 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.469 HG13 HD11 ' A' ' 102' ' ' LEU . 2.6 t -36.19 -53.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 63.8 m-85 -50.88 -50.46 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' THR . 1.3 t -69.54 -40.11 77.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.611 ' CZ ' ' SG ' ' A' ' 83' ' ' CYS . 0.9 OUTLIER -53.09 -34.64 57.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -89.76 -23.12 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.45 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 99' ' ' PHE . 62.0 mt -93.59 -106.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 tptt 63.84 163.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 m 63.23 91.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.05 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.89 155.67 0.43 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m 59.88 89.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 m -145.95 112.97 6.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.988 . . . . . . . . 0 0 . 1 stop_ save_